2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine

C17H32N2 — CID 62609112

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-2-10-18-17-7-5-3-4-6-15(17)13-19-12-14-8-9-16(19)11-14/h14-18H,2-13H2,1H3
InChIKeyICSOGYGVFJEHMK-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds5

About 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine (PubChem CID 62609112) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine
PubChem CID62609112
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-2-10-18-17-7-5-3-4-6-15(17)13-19-12-14-8-9-16(19)11-14/h14-18H,2-13H2,1H3
InChIKeyICSOGYGVFJEHMK-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-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

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylcyclopentan-1-amine
CID 62610688
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735640
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614441
2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616709
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367
5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66051575
2-[(2-ethylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62615155
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62616535
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine (CID 62609112) is 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1CN1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine?
The InChIKey is ICSOGYGVFJEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-10-18-17-7-5-3-4-6-15(17)13-19-12-14-8-9-16(19)11-14/h14-18H,2-13H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine?
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 62609112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).