(4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C14H26N2O2 — CID 107404219

IUPAC(4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(18)7-2-9-16(10-8-14)13(17)11-3-5-12(15)6-4-11/h11-12,18H,2-10,15H2,1H3
InChIKeyIOFWQALLQGNMDO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.27
Rot. Bonds1

About (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404219) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404219
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(18)7-2-9-16(10-8-14)13(17)11-3-5-12(15)6-4-11/h11-12,18H,2-10,15H2,1H3
InChIKeyIOFWQALLQGNMDO-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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 (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404219) is (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is IOFWQALLQGNMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(18)7-2-9-16(10-8-14)13(17)11-3-5-12(15)6-4-11/h11-12,18H,2-10,15H2,1H3.
What are the key properties of (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).