N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H31N3 — CID 55106669

IUPACN-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-3-17-14-10-15-4-5-16(11-14)19(15)12-13-6-8-18(2)9-7-13/h13-17H,3-12H2,1-2H3
InChIKeyGGTITAAZTKSAFF-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106669) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106669
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-3-17-14-10-15-4-5-16(11-14)19(15)12-13-6-8-18(2)9-7-13/h13-17H,3-12H2,1-2H3
InChIKeyGGTITAAZTKSAFF-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114137824
N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83024794
8-[(1-methylpyrrolidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739495
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 83024701
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713820
8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 55106669) is N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CC1CCN(C)CC1.
What is the InChIKey of N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GGTITAAZTKSAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-17-14-10-15-4-5-16(11-14)19(15)12-13-6-8-18(2)9-7-13/h13-17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).