N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C34H70N6 — CID 157154558

IUPACN-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)(C)NC1CN2CCC1CC2.CCN1CCCC(NC(C)(C)C)C1.CN1C2CCC1CC(NC(C)(C)C)C2
InChIInChI=1S/C12H24N2.C11H22N2.C11H24N2/c1-12(2,3)13-9-7-10-5-6-11(8-9)14(10)4;1-11(2,3)12-10-8-13-6-4-9(10)5-7-13;1-5-13-8-6-7-10(9-13)12-11(2,3)4/h9-11,13H,5-8H2,1-4H3;9-10,12H,4-8H2,1-3H3;10,12H,5-9H2,1-4H3
InChIKeyALQSCTSMUWGVKE-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.33
Rot. Bonds4

About N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 157154558) has the molecular formula C34H70N6 and a molecular weight of 562.98 g/mol. Its IUPAC name is N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID157154558
Molecular FormulaC34H70N6
Molecular Weight562.98 g/mol
Exact Mass562.57
IUPAC NameN-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)(C)NC1CN2CCC1CC2.CCN1CCCC(NC(C)(C)C)C1.CN1C2CCC1CC(NC(C)(C)C)C2
InChIInChI=1S/C12H24N2.C11H22N2.C11H24N2/c1-12(2,3)13-9-7-10-5-6-11(8-9)14(10)4;1-11(2,3)12-10-8-13-6-4-9(10)5-7-13;1-5-13-8-6-7-10(9-13)12-11(2,3)4/h9-11,13H,5-8H2,1-4H3;9-10,12H,4-8H2,1-3H3;10,12H,5-9H2,1-4H3
InChIKeyALQSCTSMUWGVKE-UHFFFAOYSA-N
XLogP5.33
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;bis(4-methyl-1-propan-2-ylpiperidine);bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 158999970
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
Potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
CID 156707594
N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;methane
CID 157676338
1-Azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane;ethane
CID 157685174
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;tris(4-methyl-1-propan-2-ylpiperidine);tris(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157731769
3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butyl-3,5-dimethylpiperazine;(3S,5R)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-2,6-dimethylpiperidine;(2R,6S)-1-tert-butyl-2,6-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;(2S,6R)-4-tert-butyl-1,2,6-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 157953789
N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane
CID 158042639
1,4-Di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 158567874
1-Ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine
CID 158839961
1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 158938033
N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;4-tert-butyl-1,4-diazabicyclo[3.2.1]octane;methane
CID 158998902

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 157154558) is N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC(C)(C)NC1CN2CCC1CC2.CCN1CCCC(NC(C)(C)C)C1.CN1C2CCC1CC(NC(C)(C)C)C2.
What is the InChIKey of N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ALQSCTSMUWGVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H22N2.C11H24N2/c1-12(2,3)13-9-7-10-5-6-11(8-9)14(10)4;1-11(2,3)12-10-8-13-6-4-9(10)5-7-13;1-5-13-8-6-7-10(9-13)12-11(2,3)4/h9-11,13H,5-8H2,1-4H3;9-10,12H,4-8H2,1-3H3;10,12H,5-9H2,1-4H3.
What are the key properties of N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 562.98 g/mol, XLogP of 5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 157154558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).