1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine

C17H30N2 — CID 116950190

IUPAC1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCCC(C)c1ccc(C(CCC(C)(C)N)NC)cc1
InChIInChI=1S/C17H30N2/c1-6-13(2)14-7-9-15(10-8-14)16(19-5)11-12-17(3,4)18/h7-10,13,16,19H,6,11-12,18H2,1-5H3
InChIKeyJUMBZQILHVHNFQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.98
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine

1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 116950190) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
PubChem CID116950190
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCCC(C)c1ccc(C(CCC(C)(C)N)NC)cc1
InChIInChI=1S/C17H30N2/c1-6-13(2)14-7-9-15(10-8-14)16(19-5)11-12-17(3,4)18/h7-10,13,16,19H,6,11-12,18H2,1-5H3
InChIKeyJUMBZQILHVHNFQ-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950192
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
4-butan-2-yl-N-methylaniline
CID 22675641
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 64565771
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine (CID 116950190) is 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine is CCC(C)c1ccc(C(CCC(C)(C)N)NC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is JUMBZQILHVHNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-13(2)14-7-9-15(10-8-14)16(19-5)11-12-17(3,4)18/h7-10,13,16,19H,6,11-12,18H2,1-5H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 116950190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).