N'-butan-2-yl-N,N'-diphenylmethanediamine

C17H22N2 — CID 150607535

IUPACN'-butan-2-yl-N,N'-diphenylmethanediamine
SMILESCCC(C)N(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-3-15(2)19(17-12-8-5-9-13-17)14-18-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3
InChIKeyITEREKCRPJBHLV-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.36
Rot. Bonds6

About N'-butan-2-yl-N,N'-diphenylmethanediamine

N'-butan-2-yl-N,N'-diphenylmethanediamine (PubChem CID 150607535) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-butan-2-yl-N,N'-diphenylmethanediamine.

Molecular Properties

Compound NameN'-butan-2-yl-N,N'-diphenylmethanediamine
PubChem CID150607535
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-butan-2-yl-N,N'-diphenylmethanediamine
SMILESCCC(C)N(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-3-15(2)19(17-12-8-5-9-13-17)14-18-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3
InChIKeyITEREKCRPJBHLV-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(anilinomethyl)-N,N'-diphenylmethanediamine
CID 20668878
2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
CID 62569514
N-propylaniline
CID 12153
N-(2-bromopropyl)aniline
CID 13183607
N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine
CID 134969852
N-(trimethylsilylmethyl)aniline
CID 15743444
1-ethyl-1,2-diphenylhydrazine
CID 12616656
1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
CID 23460299
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
1-anilino-2-methylpentan-3-ol
CID 69294698
magnesium;N-ethylaniline;dibromide
CID 175384218
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N,N'-diphenylmethanediamine?
The IUPAC name of N'-butan-2-yl-N,N'-diphenylmethanediamine (CID 150607535) is N'-butan-2-yl-N,N'-diphenylmethanediamine.
What is the SMILES notation for N'-butan-2-yl-N,N'-diphenylmethanediamine?
The canonical SMILES for N'-butan-2-yl-N,N'-diphenylmethanediamine is CCC(C)N(CNc1ccccc1)c1ccccc1.
What is the InChIKey of N'-butan-2-yl-N,N'-diphenylmethanediamine?
The InChIKey is ITEREKCRPJBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-15(2)19(17-12-8-5-9-13-17)14-18-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3.
What are the key properties of N'-butan-2-yl-N,N'-diphenylmethanediamine?
N'-butan-2-yl-N,N'-diphenylmethanediamine has a molecular weight of 254.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N,N'-diphenylmethanediamine is sourced from PubChem (CID 150607535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).