3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane

C36H81N5 — CID 159832079

IUPAC3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
SMILESC.C.C.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.C11H23N.C10H22N2.3CH4/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*1H4
InChIKeyNNOVUXCQTSRICB-UHFFFAOYSA-N
MW584.08 g/mol
LogP8.04
Rot. Bonds6

About 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane

3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane (PubChem CID 159832079) has the molecular formula C36H81N5 and a molecular weight of 584.08 g/mol. Its IUPAC name is 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane.

Molecular Properties

Compound Name3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
PubChem CID159832079
Molecular FormulaC36H81N5
Molecular Weight584.08 g/mol
Exact Mass583.65
IUPAC Name3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
SMILESC.C.C.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2.C11H23N.C10H22N2.3CH4/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*1H4
InChIKeyNNOVUXCQTSRICB-UHFFFAOYSA-N
XLogP8.04
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.08
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane 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

2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
1,4-di(propan-2-yl)piperidine
CID 21303253
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 171564586
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-propan-2-yl-3-[3-(3-propan-2-ylazetidin-1-yl)azetidin-1-yl]azetidine
CID 166559631
7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146275691
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 176797151

Frequently Asked Questions

What is the IUPAC name of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
The IUPAC name of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane (CID 159832079) is 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane.
What is the SMILES notation for 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
The canonical SMILES for 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane is C.C.C.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
The InChIKey is NNOVUXCQTSRICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C11H23N.C10H22N2.3CH4/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*1H4.
What are the key properties of 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane has a molecular weight of 584.08 g/mol, XLogP of 8.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane is sourced from PubChem (CID 159832079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).