4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine

C22H41NO — CID 143289904

IUPAC4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine
SMILESCOC1CCC(C(C)N(C)C2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C22H41NO/c1-17(18-11-15-22(24-3)16-12-18)23(2)21-13-9-20(10-14-21)19-7-5-4-6-8-19/h17-22H,4-16H2,1-3H3
InChIKeyWMTXVKPXMFQKFM-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.65
Rot. Bonds5

About 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine

4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine (PubChem CID 143289904) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine
PubChem CID143289904
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine
SMILESCOC1CCC(C(C)N(C)C2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C22H41NO/c1-17(18-11-15-22(24-3)16-12-18)23(2)21-13-9-20(10-14-21)19-7-5-4-6-8-19/h17-22H,4-16H2,1-3H3
InChIKeyWMTXVKPXMFQKFM-UHFFFAOYSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine (CID 143289904) is 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine is COC1CCC(C(C)N(C)C2CCC(C3CCCCC3)CC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is WMTXVKPXMFQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-17(18-11-15-22(24-3)16-12-18)23(2)21-13-9-20(10-14-21)19-7-5-4-6-8-19/h17-22H,4-16H2,1-3H3.
What are the key properties of 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine?
4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 335.58 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[1-(4-methoxycyclohexyl)ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 143289904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).