[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine

C16H30N2 — CID 114196334

IUPAC[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CC3CCCC(C3)C2)C1
InChIInChI=1S/C16H30N2/c1-2-13-6-7-16(9-13,12-17)18-10-14-4-3-5-15(8-14)11-18/h13-15H,2-12,17H2,1H3
InChIKeyIHCGREHKSHADRF-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.02
Rot. Bonds3

About [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine

[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine (PubChem CID 114196334) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine
PubChem CID114196334
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CC3CCCC(C3)C2)C1
InChIInChI=1S/C16H30N2/c1-2-13-6-7-16(9-13,12-17)18-10-14-4-3-5-15(8-14)11-18/h13-15H,2-12,17H2,1H3
InChIKeyIHCGREHKSHADRF-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
CID 114537628
[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 79188486
[3-ethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392860
1-[1-(aminomethyl)-3-ethylcyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 64501374
[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 102964836
[1-(2,4-dimethylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 64500735
[3-ethyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 83228240
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133

Frequently Asked Questions

What is the IUPAC name of [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine (CID 114196334) is [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(N2CC3CCCC(C3)C2)C1.
What is the InChIKey of [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine?
The InChIKey is IHCGREHKSHADRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-13-6-7-16(9-13,12-17)18-10-14-4-3-5-15(8-14)11-18/h13-15H,2-12,17H2,1H3.
What are the key properties of [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine?
[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 114196334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).