[2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

C14H26N2O2 — CID 107404274

IUPAC[2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCC2CN)CC1
InChIInChI=1S/C14H26N2O2/c1-14(18)6-3-8-16(9-7-14)13(17)12-5-2-4-11(12)10-15/h11-12,18H,2-10,15H2,1H3
InChIKeyQQQFCTCFUCQGLM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.12
Rot. Bonds2

About [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone

[2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404274) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404274
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCC2CN)CC1
InChIInChI=1S/C14H26N2O2/c1-14(18)6-3-8-16(9-7-14)13(17)12-5-2-4-11(12)10-15/h11-12,18H,2-10,15H2,1H3
InChIKeyQQQFCTCFUCQGLM-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404274) is [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2CCCC2CN)CC1.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is QQQFCTCFUCQGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(18)6-3-8-16(9-7-14)13(17)12-5-2-4-11(12)10-15/h11-12,18H,2-10,15H2,1H3.
What are the key properties of [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
[2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).