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

C15H26N2 — CID 62563455

IUPACN'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
SMILESCC(C)CCN(C)CCCNc1ccccc1
InChIInChI=1S/C15H26N2/c1-14(2)10-13-17(3)12-7-11-16-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3
InChIKeyIAUKVODMJJJTSS-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.47
Rot. Bonds8

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

N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine (PubChem CID 62563455) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
PubChem CID62563455
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
SMILESCC(C)CCN(C)CCCNc1ccccc1
InChIInChI=1S/C15H26N2/c1-14(2)10-13-17(3)12-7-11-16-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3
InChIKeyIAUKVODMJJJTSS-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 62570612
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N-(4-chlorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 55088831
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
4-[4-anilinobutyl(methyl)amino]butanoic acid
CID 141217788
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
CID 62568765
N-(18-methylnonadec-9-enyl)aniline
CID 154089870
N'-methyl-N-phenyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 55087775
2-[2-anilinopropyl(methyl)amino]ethanol
CID 10954782
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
CID 83155630

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine (CID 62563455) is N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine is CC(C)CCN(C)CCCNc1ccccc1.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine?
The InChIKey is IAUKVODMJJJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2)10-13-17(3)12-7-11-16-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine?
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 62563455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).