2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine

C16H30N4 — CID 135349838

IUPAC2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine
SMILESCC(N)CC(C)(N)c1ccc(C(C)(N)CC(C)N)cc1
InChIInChI=1S/C16H30N4/c1-11(17)9-15(3,19)13-5-7-14(8-6-13)16(4,20)10-12(2)18/h5-8,11-12H,9-10,17-20H2,1-4H3
InChIKeyJEVSOORWGAMJSP-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine

2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine (PubChem CID 135349838) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine.

Molecular Properties

Compound Name2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine
PubChem CID135349838
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine
SMILESCC(N)CC(C)(N)c1ccc(C(C)(N)CC(C)N)cc1
InChIInChI=1S/C16H30N4/c1-11(17)9-15(3,19)13-5-7-14(8-6-13)16(4,20)10-12(2)18/h5-8,11-12H,9-10,17-20H2,1-4H3
InChIKeyJEVSOORWGAMJSP-UHFFFAOYSA-N
XLogP1.51
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
(4S)-2-methylpentane-2,4-diamine
CID 55284810
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
CID 62795409
(2R)-4,4-dimethylpentan-2-amine;hydrochloride
CID 164901043
(2R)-4-methyl-6-phenylhexane-2,4-diamine
CID 70295340
6-methyl-2-(4-methylphenyl)heptan-2-amine
CID 83157399
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine
CID 67657815
4-ethyl-2-(4-fluorophenyl)octan-2-amine
CID 63408440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine?
The IUPAC name of 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine (CID 135349838) is 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine.
What is the SMILES notation for 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine?
The canonical SMILES for 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine is CC(N)CC(C)(N)c1ccc(C(C)(N)CC(C)N)cc1.
What is the InChIKey of 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine?
The InChIKey is JEVSOORWGAMJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-11(17)9-15(3,19)13-5-7-14(8-6-13)16(4,20)10-12(2)18/h5-8,11-12H,9-10,17-20H2,1-4H3.
What are the key properties of 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine?
2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-diaminopentan-2-yl)phenyl]pentane-2,4-diamine is sourced from PubChem (CID 135349838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).