1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine

C15H26N2 — CID 64586766

IUPAC1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
SMILESCCCCN(CC(C)(C)NC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-5-6-12-17(13-15(2,3)16-4)14-10-8-7-9-11-14/h7-11,16H,5-6,12-13H2,1-4H3
InChIKeyGZSNPVJTVGANSV-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.29
Rot. Bonds7

About 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine

1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine (PubChem CID 64586766) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
PubChem CID64586766
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
SMILESCCCCN(CC(C)(C)NC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-5-6-12-17(13-15(2,3)16-4)14-10-8-7-9-11-14/h7-11,16H,5-6,12-13H2,1-4H3
InChIKeyGZSNPVJTVGANSV-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402
3-(N-butylanilino)-2,2-dimethylpropanal
CID 64584464
N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
CID 64586415
methyl 4-(N-butylanilino)-2-methyl-2-(methylamino)butanoate
CID 64586012
1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
CID 66453458
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
CID 64586599
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine (CID 64586766) is 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine is CCCCN(CC(C)(C)NC)c1ccccc1.
What is the InChIKey of 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is GZSNPVJTVGANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-12-17(13-15(2,3)16-4)14-10-8-7-9-11-14/h7-11,16H,5-6,12-13H2,1-4H3.
What are the key properties of 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine?
1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 64586766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).