4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine

C20H41NO — CID 135269665

IUPAC4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCCC(CCCC1CCC(NC(C)C)CC1)C(CC)OC
InChIInChI=1S/C20H41NO/c1-6-9-18(20(7-2)22-5)11-8-10-17-12-14-19(15-13-17)21-16(3)4/h16-21H,6-15H2,1-5H3
InChIKeyOEURNROGAFOXAO-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.55
Rot. Bonds11

About 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine

4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 135269665) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID135269665
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCCC(CCCC1CCC(NC(C)C)CC1)C(CC)OC
InChIInChI=1S/C20H41NO/c1-6-9-18(20(7-2)22-5)11-8-10-17-12-14-19(15-13-17)21-16(3)4/h16-21H,6-15H2,1-5H3
InChIKeyOEURNROGAFOXAO-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine (CID 135269665) is 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine is CCCC(CCCC1CCC(NC(C)C)CC1)C(CC)OC.
What is the InChIKey of 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is OEURNROGAFOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-6-9-18(20(7-2)22-5)11-8-10-17-12-14-19(15-13-17)21-16(3)4/h16-21H,6-15H2,1-5H3.
What are the key properties of 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine?
4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 311.55 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 135269665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).