2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine

C17H31N3 — CID 103190030

IUPAC2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1ccc(N(CC)C(C)CN(C)C)c(C)c1
InChIInChI=1S/C17H31N3/c1-7-18-12-16-9-10-17(14(3)11-16)20(8-2)15(4)13-19(5)6/h9-11,15,18H,7-8,12-13H2,1-6H3
InChIKeySVZJEQRXAKKXLJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.88
Rot. Bonds8

About 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190030) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190030
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1ccc(N(CC)C(C)CN(C)C)c(C)c1
InChIInChI=1S/C17H31N3/c1-7-18-12-16-9-10-17(14(3)11-16)20(8-2)15(4)13-19(5)6/h9-11,15,18H,7-8,12-13H2,1-6H3
InChIKeySVZJEQRXAKKXLJ-UHFFFAOYSA-N
XLogP2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190030) is 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCNCc1ccc(N(CC)C(C)CN(C)C)c(C)c1.
What is the InChIKey of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is SVZJEQRXAKKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-7-18-12-16-9-10-17(14(3)11-16)20(8-2)15(4)13-19(5)6/h9-11,15,18H,7-8,12-13H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).