1-(4-butylphenyl)-N'-cyclohexylmethanediamine

C17H28N2 — CID 175117275

IUPAC1-(4-butylphenyl)-N'-cyclohexylmethanediamine
SMILESCCCCc1ccc(C(N)NC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-2-3-7-14-10-12-15(13-11-14)17(18)19-16-8-5-4-6-9-16/h10-13,16-17,19H,2-9,18H2,1H3
InChIKeyKXPWOMQZLXROGG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-butylphenyl)-N'-cyclohexylmethanediamine

1-(4-butylphenyl)-N'-cyclohexylmethanediamine (PubChem CID 175117275) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N'-cyclohexylmethanediamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N'-cyclohexylmethanediamine
PubChem CID175117275
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-butylphenyl)-N'-cyclohexylmethanediamine
SMILESCCCCc1ccc(C(N)NC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-2-3-7-14-10-12-15(13-11-14)17(18)19-16-8-5-4-6-9-16/h10-13,16-17,19H,2-9,18H2,1H3
InChIKeyKXPWOMQZLXROGG-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
N-[(4-butylphenyl)methyl]cyclohexanamine
CID 70837938
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
N-[1-(4-butylphenyl)ethyl]-1,1-dioxothian-3-amine
CID 63923883
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N'-cyclohexylmethanediamine?
The IUPAC name of 1-(4-butylphenyl)-N'-cyclohexylmethanediamine (CID 175117275) is 1-(4-butylphenyl)-N'-cyclohexylmethanediamine.
What is the SMILES notation for 1-(4-butylphenyl)-N'-cyclohexylmethanediamine?
The canonical SMILES for 1-(4-butylphenyl)-N'-cyclohexylmethanediamine is CCCCc1ccc(C(N)NC2CCCCC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N'-cyclohexylmethanediamine?
The InChIKey is KXPWOMQZLXROGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-7-14-10-12-15(13-11-14)17(18)19-16-8-5-4-6-9-16/h10-13,16-17,19H,2-9,18H2,1H3.
What are the key properties of 1-(4-butylphenyl)-N'-cyclohexylmethanediamine?
1-(4-butylphenyl)-N'-cyclohexylmethanediamine has a molecular weight of 260.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N'-cyclohexylmethanediamine is sourced from PubChem (CID 175117275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).