N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine

C17H31N3 — CID 62570612

IUPACN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
SMILESCC(C)CN(CCCNc1ccccc1)CCN(C)C
InChIInChI=1S/C17H31N3/c1-16(2)15-20(14-13-19(3)4)12-8-11-18-17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3
InChIKeyZPNGVRMGLNEVAT-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.01
Rot. Bonds10

About N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine (PubChem CID 62570612) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
PubChem CID62570612
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
SMILESCC(C)CN(CCCNc1ccccc1)CCN(C)C
InChIInChI=1S/C17H31N3/c1-16(2)15-20(14-13-19(3)4)12-8-11-18-17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3
InChIKeyZPNGVRMGLNEVAT-UHFFFAOYSA-N
XLogP3.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
CID 62568765
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 63068325
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine (CID 62570612) is N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine is CC(C)CN(CCCNc1ccccc1)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
The InChIKey is ZPNGVRMGLNEVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2)15-20(14-13-19(3)4)12-8-11-18-17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 62570612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).