1-(4-butan-2-ylphenyl)pentane-1,4-diamine

C15H26N2 — CID 116934302

IUPAC1-(4-butan-2-ylphenyl)pentane-1,4-diamine
SMILESCCC(C)c1ccc(C(N)CCC(C)N)cc1
InChIInChI=1S/C15H26N2/c1-4-11(2)13-6-8-14(9-7-13)15(17)10-5-12(3)16/h6-9,11-12,15H,4-5,10,16-17H2,1-3H3
InChIKeyGYCQOLWTSRCMHC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.33
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)pentane-1,4-diamine

1-(4-butan-2-ylphenyl)pentane-1,4-diamine (PubChem CID 116934302) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)pentane-1,4-diamine
PubChem CID116934302
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-butan-2-ylphenyl)pentane-1,4-diamine
SMILESCCC(C)c1ccc(C(N)CCC(C)N)cc1
InChIInChI=1S/C15H26N2/c1-4-11(2)13-6-8-14(9-7-13)15(17)10-5-12(3)16/h6-9,11-12,15H,4-5,10,16-17H2,1-3H3
InChIKeyGYCQOLWTSRCMHC-UHFFFAOYSA-N
XLogP3.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
CID 82984910
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)pentane-1,4-diamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)pentane-1,4-diamine (CID 116934302) is 1-(4-butan-2-ylphenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)pentane-1,4-diamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)pentane-1,4-diamine is CCC(C)c1ccc(C(N)CCC(C)N)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)pentane-1,4-diamine?
The InChIKey is GYCQOLWTSRCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-11(2)13-6-8-14(9-7-13)15(17)10-5-12(3)16/h6-9,11-12,15H,4-5,10,16-17H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)pentane-1,4-diamine?
1-(4-butan-2-ylphenyl)pentane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.33, 6 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)pentane-1,4-diamine is sourced from PubChem (CID 116934302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).