2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine

C19H34N2 — CID 63467773

IUPAC2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccccc1)C(CC)N(C)CCC(C)C
InChIInChI=1S/C19H34N2/c1-6-14-20-19(17-11-9-8-10-12-17)18(7-2)21(5)15-13-16(3)4/h8-12,16,18-20H,6-7,13-15H2,1-5H3
InChIKeySLZBJIBCHMHENG-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.48
Rot. Bonds10

About 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine

2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine (PubChem CID 63467773) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
PubChem CID63467773
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccccc1)C(CC)N(C)CCC(C)C
InChIInChI=1S/C19H34N2/c1-6-14-20-19(17-11-9-8-10-12-17)18(7-2)21(5)15-13-16(3)4/h8-12,16,18-20H,6-7,13-15H2,1-5H3
InChIKeySLZBJIBCHMHENG-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63469362
2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
CID 66612939
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 81058735
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine (CID 63467773) is 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine is CCCNC(c1ccccc1)C(CC)N(C)CCC(C)C.
What is the InChIKey of 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine?
The InChIKey is SLZBJIBCHMHENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-14-20-19(17-11-9-8-10-12-17)18(7-2)21(5)15-13-16(3)4/h8-12,16,18-20H,6-7,13-15H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine?
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63467773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).