1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine

C25H41NO2 — CID 143707745

IUPAC1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(c3ccc(OCCCOC)cc3)CC2)CC1
InChIInChI=1S/C25H41NO2/c1-3-25(26)23-11-9-21(10-12-23)19-5-7-20(8-6-19)22-13-15-24(16-14-22)28-18-4-17-27-2/h13-16,19-21,23,25H,3-12,17-18,26H2,1-2H3
InChIKeyBKSHSNQWCBOGHI-UHFFFAOYSA-N
MW387.61 g/mol
LogP5.92
Rot. Bonds9

About 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine

1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine (PubChem CID 143707745) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
PubChem CID143707745
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(c3ccc(OCCCOC)cc3)CC2)CC1
InChIInChI=1S/C25H41NO2/c1-3-25(26)23-11-9-21(10-12-23)19-5-7-20(8-6-19)22-13-15-24(16-14-22)28-18-4-17-27-2/h13-16,19-21,23,25H,3-12,17-18,26H2,1-2H3
InChIKeyBKSHSNQWCBOGHI-UHFFFAOYSA-N
XLogP5.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 126539512
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 154558214
4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
CID 19693936
1-butoxy-4-[4-[4-(difluoromethyl)cyclohexyl]phenyl]benzene
CID 19436543
5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
CID 163427702
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane
CID 18612133
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine (CID 143707745) is 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine is CCC(N)C1CCC(C2CCC(c3ccc(OCCCOC)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
The InChIKey is BKSHSNQWCBOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO2/c1-3-25(26)23-11-9-21(10-12-23)19-5-7-20(8-6-19)22-13-15-24(16-14-22)28-18-4-17-27-2/h13-16,19-21,23,25H,3-12,17-18,26H2,1-2H3.
What are the key properties of 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine has a molecular weight of 387.61 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 143707745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).