[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride

C13H25ClN2O — CID 119669538

IUPAC[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C13H24N2O.ClH/c14-11-13(7-3-4-8-13)12(16)15-9-5-1-2-6-10-15;/h1-11,14H2;1H
InChIKeyKTZLOPGFQQSYNQ-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.33
Rot. Bonds2

About [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride

[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride (PubChem CID 119669538) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
PubChem CID119669538
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C13H24N2O.ClH/c14-11-13(7-3-4-8-13)12(16)15-9-5-1-2-6-10-15;/h1-11,14H2;1H
InChIKeyKTZLOPGFQQSYNQ-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55038317
2-[4-[1-(aminomethyl)cyclopentanecarbonyl]-1,4-diazepan-1-yl]acetic acid
CID 115435248
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 115437590
4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one
CID 65366648
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119874483

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride (CID 119669538) is [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride is Cl.NCC1(C(=O)N2CCCCCC2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride?
The InChIKey is KTZLOPGFQQSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-11-13(7-3-4-8-13)12(16)15-9-5-1-2-6-10-15;/h1-11,14H2;1H.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride?
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119669538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).