1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine

C15H26N2 — CID 79089217

IUPAC1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CCc1ccccc1)CN(C)C
InChIInChI=1S/C15H26N2/c1-4-12-16-15(13-17(2)3)11-10-14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3
InChIKeySUMNFGGKFUKLHZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.55
Rot. Bonds8

About 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine

1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine (PubChem CID 79089217) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
PubChem CID79089217
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CCc1ccccc1)CN(C)C
InChIInChI=1S/C15H26N2/c1-4-12-16-15(13-17(2)3)11-10-14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3
InChIKeySUMNFGGKFUKLHZ-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
CID 122628409
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine (CID 79089217) is 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine is CCCNC(CCc1ccccc1)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
The InChIKey is SUMNFGGKFUKLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-12-16-15(13-17(2)3)11-10-14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).