1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine

C27H45NO2 — CID 154558214

IUPAC1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(c3ccc(OC(C)CC(C)OC)cc3)CC2)CC1
InChIInChI=1S/C27H45NO2/c1-5-27(28)25-12-10-23(11-13-25)21-6-8-22(9-7-21)24-14-16-26(17-15-24)30-20(3)18-19(2)29-4/h14-17,19-23,25,27H,5-13,18,28H2,1-4H3
InChIKeyLIUYQHLLYVUNDG-UHFFFAOYSA-N
MW415.66 g/mol
LogP6.70
Rot. Bonds9

About 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine

1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine (PubChem CID 154558214) has the molecular formula C27H45NO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
PubChem CID154558214
Molecular FormulaC27H45NO2
Molecular Weight415.66 g/mol
Exact Mass415.35
IUPAC Name1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(c3ccc(OC(C)CC(C)OC)cc3)CC2)CC1
InChIInChI=1S/C27H45NO2/c1-5-27(28)25-12-10-23(11-13-25)21-6-8-22(9-7-21)24-14-16-26(17-15-24)30-20(3)18-19(2)29-4/h14-17,19-23,25,27H,5-13,18,28H2,1-4H3
InChIKeyLIUYQHLLYVUNDG-UHFFFAOYSA-N
XLogP6.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.66
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine with MolForge

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Related Compounds

1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 126539512
1-[(2R,4S)-4-methoxypentan-2-yl]oxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 170842328
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 143707745
1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]pentan-2-ol
CID 70860397
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443
5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
CID 163427702
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 116962676
[4-(4-methoxyphenyl)cyclohexyl]-phenylmethanamine
CID 24738284
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 19436175

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine (CID 154558214) is 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine is CCC(N)C1CCC(C2CCC(c3ccc(OC(C)CC(C)OC)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
The InChIKey is LIUYQHLLYVUNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO2/c1-5-27(28)25-12-10-23(11-13-25)21-6-8-22(9-7-21)24-14-16-26(17-15-24)30-20(3)18-19(2)29-4/h14-17,19-23,25,27H,5-13,18,28H2,1-4H3.
What are the key properties of 1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine?
1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine has a molecular weight of 415.66 g/mol, XLogP of 6.70, 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-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 154558214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).