4-N-(1-phenylpentyl)cyclohexane-1,4-diamine

C17H28N2 — CID 62319614

IUPAC4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
SMILESCCCCC(NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-3-9-17(14-7-5-4-6-8-14)19-16-12-10-15(18)11-13-16/h4-8,15-17,19H,2-3,9-13,18H2,1H3
InChIKeyKUPXBTLIDVVBKU-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.78
Rot. Bonds6

About 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine

4-N-(1-phenylpentyl)cyclohexane-1,4-diamine (PubChem CID 62319614) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
PubChem CID62319614
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
SMILESCCCCC(NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-2-3-9-17(14-7-5-4-6-8-14)19-16-12-10-15(18)11-13-16/h4-8,15-17,19H,2-3,9-13,18H2,1H3
InChIKeyKUPXBTLIDVVBKU-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676
4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
CID 111467264
4-(1-phenylpentylamino)pyrrolidin-2-one
CID 106183225
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine (CID 62319614) is 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine is CCCCC(NC1CCC(N)CC1)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine?
The InChIKey is KUPXBTLIDVVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-9-17(14-7-5-4-6-8-14)19-16-12-10-15(18)11-13-16/h4-8,15-17,19H,2-3,9-13,18H2,1H3.
What are the key properties of 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine?
4-N-(1-phenylpentyl)cyclohexane-1,4-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylpentyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62319614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).