(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride

C16H31ClN2O — CID 119797212

IUPAC(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCCCCN1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-12(2)10-15-6-4-3-5-9-18(15)16(19)13-7-8-14(17)11-13;/h12-15H,3-11,17H2,1-2H3;1H
InChIKeyUUSDDCBOQDFFDO-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.35
Rot. Bonds3

About (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride

(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride (PubChem CID 119797212) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
PubChem CID119797212
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCCCCN1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-12(2)10-15-6-4-3-5-9-18(15)16(19)13-7-8-14(17)11-13;/h12-15H,3-11,17H2,1-2H3;1H
InChIKeyUUSDDCBOQDFFDO-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3S)-3-aminocyclopentyl]-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 99776174
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119802212
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119334196
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 120794811
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 119765929

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride (CID 119797212) is (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride is CC(C)CC1CCCCCN1C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride?
The InChIKey is UUSDDCBOQDFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-12(2)10-15-6-4-3-5-9-18(15)16(19)13-7-8-14(17)11-13;/h12-15H,3-11,17H2,1-2H3;1H.
What are the key properties of (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride?
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119797212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).