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

C14H26N2O2 — CID 107404093

IUPAC[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(CN)CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-13(18)5-4-9-16(10-8-13)12(17)14(11-15)6-2-3-7-14/h18H,2-11,15H2,1H3
InChIKeyBGJKAQORLLFVBR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.27
Rot. Bonds2

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

[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404093) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404093
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2(CN)CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-13(18)5-4-9-16(10-8-13)12(17)14(11-15)6-2-3-7-14/h18H,2-11,15H2,1H3
InChIKeyBGJKAQORLLFVBR-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404093) is [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2(CN)CCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is BGJKAQORLLFVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(18)5-4-9-16(10-8-13)12(17)14(11-15)6-2-3-7-14/h18H,2-11,15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone?
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).