1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine

C15H26N2 — CID 62487909

IUPAC1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
SMILESCC(C)CCN(C)CC(C)(N)c1ccccc1
InChIInChI=1S/C15H26N2/c1-13(2)10-11-17(4)12-15(3,16)14-8-6-5-7-9-14/h5-9,13H,10-12,16H2,1-4H3
InChIKeyUIMYIJYCFZLSHE-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.84
Rot. Bonds6

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

1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine (PubChem CID 62487909) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
PubChem CID62487909
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
SMILESCC(C)CCN(C)CC(C)(N)c1ccccc1
InChIInChI=1S/C15H26N2/c1-13(2)10-11-17(4)12-15(3,16)14-8-6-5-7-9-14/h5-9,13H,10-12,16H2,1-4H3
InChIKeyUIMYIJYCFZLSHE-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
1-N-cyclopropyl-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62489695
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62984016
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-phenylpropane-1,2-diamine
CID 62488443
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058
1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487226

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine (CID 62487909) is 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine is CC(C)CCN(C)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine?
The InChIKey is UIMYIJYCFZLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)10-11-17(4)12-15(3,16)14-8-6-5-7-9-14/h5-9,13H,10-12,16H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine?
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62487909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).