N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H28N2 — CID 65472545

IUPACN-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCC1CCCC1)C2
InChIInChI=1S/C15H28N2/c1-17-14-7-4-8-15(17)10-13(9-14)16-11-12-5-2-3-6-12/h12-16H,2-11H2,1H3
InChIKeyFFBFSJXPWPZIPE-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds3

About N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472545) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472545
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NCC1CCCC1)C2
InChIInChI=1S/C15H28N2/c1-17-14-7-4-8-15(17)10-13(9-14)16-11-12-5-2-3-6-12/h12-16H,2-11H2,1H3
InChIKeyFFBFSJXPWPZIPE-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472545) is N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NCC1CCCC1)C2.
What is the InChIKey of N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FFBFSJXPWPZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-17-14-7-4-8-15(17)10-13(9-14)16-11-12-5-2-3-6-12/h12-16H,2-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 236.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).