4,6-diphenylhexane-1,5-diamine

C18H24N2 — CID 19005200

IUPAC4,6-diphenylhexane-1,5-diamine
SMILESNCCCC(c1ccccc1)C(N)Cc1ccccc1
InChIInChI=1S/C18H24N2/c19-13-7-12-17(16-10-5-2-6-11-16)18(20)14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14,19-20H2
InChIKeyDIFLLVXVGCDIPI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.08
Rot. Bonds7

About 4,6-diphenylhexane-1,5-diamine

4,6-diphenylhexane-1,5-diamine (PubChem CID 19005200) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4,6-diphenylhexane-1,5-diamine.

Molecular Properties

Compound Name4,6-diphenylhexane-1,5-diamine
PubChem CID19005200
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4,6-diphenylhexane-1,5-diamine
SMILESNCCCC(c1ccccc1)C(N)Cc1ccccc1
InChIInChI=1S/C18H24N2/c19-13-7-12-17(16-10-5-2-6-11-16)18(20)14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14,19-20H2
InChIKeyDIFLLVXVGCDIPI-UHFFFAOYSA-N
XLogP3.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-6-phenylhexane-1,4-diamine
CID 90974267
8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine
CID 57235740
4-fluoro-5-phenylpentan-1-amine
CID 83855308
4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
CID 20848340
6-phenylhexane-1,4-diamine
CID 23163544
7-phenylheptane-1,4-diamine
CID 174860311
2-phenylpentane-1,5-diamine
CID 22770284
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
2-methyl-4-phenylbutane-1,3-diamine
CID 20848308
(1R)-1-bromo-2-phenylethanamine
CID 164702405
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylhexane-1,5-diamine?
The IUPAC name of 4,6-diphenylhexane-1,5-diamine (CID 19005200) is 4,6-diphenylhexane-1,5-diamine.
What is the SMILES notation for 4,6-diphenylhexane-1,5-diamine?
The canonical SMILES for 4,6-diphenylhexane-1,5-diamine is NCCCC(c1ccccc1)C(N)Cc1ccccc1.
What is the InChIKey of 4,6-diphenylhexane-1,5-diamine?
The InChIKey is DIFLLVXVGCDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-13-7-12-17(16-10-5-2-6-11-16)18(20)14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14,19-20H2.
What are the key properties of 4,6-diphenylhexane-1,5-diamine?
4,6-diphenylhexane-1,5-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylhexane-1,5-diamine is sourced from PubChem (CID 19005200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).