N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine

C17H31N3 — CID 102992514

IUPACN'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(N)c1ccccc1
InChIInChI=1S/C17H31N3/c1-4-19(5-2)13-10-14-20(6-3)15-17(18)16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15,18H2,1-3H3
InChIKeyQPBVHUJEUMIXJW-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.74
Rot. Bonds10

About N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine

N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992514) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992514
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(N)c1ccccc1
InChIInChI=1S/C17H31N3/c1-4-19(5-2)13-10-14-20(6-3)15-17(18)16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15,18H2,1-3H3
InChIKeyQPBVHUJEUMIXJW-UHFFFAOYSA-N
XLogP2.74
TPSA32.50 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-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'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
2-[(2-amino-2-phenylethyl)-ethylamino]-N,N-dimethylacetamide
CID 63772577
N,N-diethylpentan-1-amine;1-phenylethanamine
CID 175350280
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine (CID 102992514) is N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CC(N)c1ccccc1.
What is the InChIKey of N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is QPBVHUJEUMIXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-19(5-2)13-10-14-20(6-3)15-17(18)16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15,18H2,1-3H3.
What are the key properties of N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine?
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).