4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine

C25H45N — CID 142281876

IUPAC4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(/C=C/C2CCC(C3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C25H45N/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h10-11,20-25H,2-9,12-19,26H2,1H3/b11-10+
InChIKeyCWGZVUIRLNIMRT-ZHACJKMWSA-N
MW359.64 g/mol
LogP7.25
Rot. Bonds7

About 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine

4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine (PubChem CID 142281876) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
PubChem CID142281876
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(/C=C/C2CCC(C3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C25H45N/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h10-11,20-25H,2-9,12-19,26H2,1H3/b11-10+
InChIKeyCWGZVUIRLNIMRT-ZHACJKMWSA-N
XLogP7.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine
CID 129228622
4-[4-[(3Z,6E)-3-[(Z)-1,2-difluoroethenyl]octa-3,6-dienyl]cyclohexyl]cyclohexan-1-amine
CID 144405277
4-[4-(4-Fluorocyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohexan-1-amine
CID 146303729
[2-ethyl-3-[(1Z)-1-[4-[1-(2-fluoro-3,4,5-trimethyl-6-propylcyclohexyl)prop-2-enyl]-2,6-dimethyl-3-propan-2-ylcyclohexylidene]ethyl]-4,5,6-trimethylcyclohexyl]methanamine
CID 170205144
2,7-Methanonaphthalen-3-amine, 1,2,3,4,4a,7,8,8a-octahydro-, (2alpha,3alpha,4abeta,7alpha,8abeta)-
CID 556163
1-Cyclohexyl-10-pentylundeca-3,7-diene-1,11-diamine
CID 57308248
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
4-[1-[4-Amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
CID 66693382
4-[1-[4-Amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
CID 66693785
4-[1-[4-Amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
CID 66693832
4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexan-1-amine
CID 66829149
1-[(1R)-4-[4-[(E)-1-(2-methylcyclohex-3-en-1-yl)but-2-en-2-yl]cyclohexyl]-1,2,3,8a-tetrahydronaphthalen-1-yl]pent-4-en-1-amine
CID 67951360

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine (CID 142281876) is 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine is CCCCCC1CCC(/C=C/C2CCC(C3CCC(N)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
The InChIKey is CWGZVUIRLNIMRT-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H45N/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h10-11,20-25H,2-9,12-19,26H2,1H3/b11-10+.
What are the key properties of 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine?
4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine has a molecular weight of 359.64 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 142281876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).