1-N,1-diphenylbutane-1,3-diamine

C16H20N2 — CID 542026

IUPAC1-N,1-diphenylbutane-1,3-diamine
SMILESCC(N)CC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(17)12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-11,13,16,18H,12,17H2,1H3
InChIKeyWZAKCOADCJGXIJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.58
Rot. Bonds5

About 1-N,1-diphenylbutane-1,3-diamine

1-N,1-diphenylbutane-1,3-diamine (PubChem CID 542026) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-diphenylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-diphenylbutane-1,3-diamine
PubChem CID542026
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,1-diphenylbutane-1,3-diamine
SMILESCC(N)CC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(17)12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-11,13,16,18H,12,17H2,1H3
InChIKeyWZAKCOADCJGXIJ-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
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N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-[3-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
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methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
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N-(1-phenyl-2-phenylselanylethyl)aniline
CID 172557250
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
CID 65380712
3-N-(1-phenylpropyl)benzene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-N,1-diphenylbutane-1,3-diamine?
The IUPAC name of 1-N,1-diphenylbutane-1,3-diamine (CID 542026) is 1-N,1-diphenylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-diphenylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-diphenylbutane-1,3-diamine is CC(N)CC(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-diphenylbutane-1,3-diamine?
The InChIKey is WZAKCOADCJGXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(17)12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-11,13,16,18H,12,17H2,1H3.
What are the key properties of 1-N,1-diphenylbutane-1,3-diamine?
1-N,1-diphenylbutane-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-diphenylbutane-1,3-diamine is sourced from PubChem (CID 542026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).