3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

C15H29N3 — CID 43267019

IUPAC3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(CN)(N(C)C1CCCC1)C2
InChIInChI=1S/C15H29N3/c1-17-13-7-8-14(17)10-15(9-13,11-16)18(2)12-5-3-4-6-12/h12-14H,3-11,16H2,1-2H3
InChIKeyZLJHQIVPYZKLRV-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.81
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine

3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43267019) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43267019
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(CN)(N(C)C1CCCC1)C2
InChIInChI=1S/C15H29N3/c1-17-13-7-8-14(17)10-15(9-13,11-16)18(2)12-5-3-4-6-12/h12-14H,3-11,16H2,1-2H3
InChIKeyZLJHQIVPYZKLRV-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43267019) is 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(CN)(N(C)C1CCCC1)C2.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZLJHQIVPYZKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-17-13-7-8-14(17)10-15(9-13,11-16)18(2)12-5-3-4-6-12/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43267019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).