1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine

C17H30N2 — CID 64585190

IUPAC1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
SMILESCCCCN(CC(CC)NCCC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-4-7-14-19(17-11-9-8-10-12-17)15-16(6-3)18-13-5-2/h8-12,16,18H,4-7,13-15H2,1-3H3
InChIKeyJDLOKRBLGQEYIT-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.07
Rot. Bonds10

About 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine

1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine (PubChem CID 64585190) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
PubChem CID64585190
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
SMILESCCCCN(CC(CC)NCCC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-4-7-14-19(17-11-9-8-10-12-17)15-16(6-3)18-13-5-2/h8-12,16,18H,4-7,13-15H2,1-3H3
InChIKeyJDLOKRBLGQEYIT-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-butylanilino)butan-2-ol
CID 63102235
1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
CID 66453458
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
N-butyl-N-(2-methylpentyl)aniline
CID 23123551
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
N-heptan-3-yl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63946266
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
4-(N-butylanilino)-2-(propan-2-ylamino)butanenitrile
CID 64586585

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine (CID 64585190) is 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine is CCCCN(CC(CC)NCCC)c1ccccc1.
What is the InChIKey of 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine?
The InChIKey is JDLOKRBLGQEYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-7-14-19(17-11-9-8-10-12-17)15-16(6-3)18-13-5-2/h8-12,16,18H,4-7,13-15H2,1-3H3.
What are the key properties of 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine?
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 64585190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).