4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol

C15H30N2O — CID 79123469

IUPAC4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol
SMILESCC1CCCC(CN)(C2(O)CCCN(C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-13-5-3-6-14(11-13,12-16)15(18)7-4-9-17(2)10-8-15/h13,18H,3-12,16H2,1-2H3
InChIKeyZHEFCQRJPFHVGB-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.99
Rot. Bonds2

About 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol

4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol (PubChem CID 79123469) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol
PubChem CID79123469
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol
SMILESCC1CCCC(CN)(C2(O)CCCN(C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-13-5-3-6-14(11-13,12-16)15(18)7-4-9-17(2)10-8-15/h13,18H,3-12,16H2,1-2H3
InChIKeyZHEFCQRJPFHVGB-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol (CID 79123469) is 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol is CC1CCCC(CN)(C2(O)CCCN(C)CC2)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol?
The InChIKey is ZHEFCQRJPFHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-5-3-6-14(11-13,12-16)15(18)7-4-9-17(2)10-8-15/h13,18H,3-12,16H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol?
4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol has a molecular weight of 254.42 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-methylcyclohexyl]-1-methylazepan-4-ol is sourced from PubChem (CID 79123469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).