1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine

C17H35NO — CID 116766098

IUPAC1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
SMILESCCCCCCCCC(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-16(18)17(19-3)13-11-15(2)12-14-17/h15-16H,4-14,18H2,1-3H3
InChIKeyHQGFUSOQHRUYCL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.66
Rot. Bonds9

About 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine

1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine (PubChem CID 116766098) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
PubChem CID116766098
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
SMILESCCCCCCCCC(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-16(18)17(19-3)13-11-15(2)12-14-17/h15-16H,4-14,18H2,1-3H3
InChIKeyHQGFUSOQHRUYCL-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine (CID 116766098) is 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine is CCCCCCCCC(N)C1(OC)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
The InChIKey is HQGFUSOQHRUYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-16(18)17(19-3)13-11-15(2)12-14-17/h15-16H,4-14,18H2,1-3H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine?
1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine is sourced from PubChem (CID 116766098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).