(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride

C14H27ClN2O — CID 119335089

IUPAC(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)C2(N)CCCC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-13(2)6-5-10-16(11-9-13)12(17)14(15)7-3-4-8-14;/h3-11,15H2,1-2H3;1H
InChIKeyBLYSMOBWQQOMPZ-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.72
Rot. Bonds1

About (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride

(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride (PubChem CID 119335089) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
PubChem CID119335089
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)C2(N)CCCC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-13(2)6-5-10-16(11-9-13)12(17)14(15)7-3-4-8-14;/h3-11,15H2,1-2H3;1H
InChIKeyBLYSMOBWQQOMPZ-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride (CID 119335089) is (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride is CC1(C)CCCN(C(=O)C2(N)CCCC2)CC1.Cl.
What is the InChIKey of (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
The InChIKey is BLYSMOBWQQOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-13(2)6-5-10-16(11-9-13)12(17)14(15)7-3-4-8-14;/h3-11,15H2,1-2H3;1H.
What are the key properties of (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119335089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).