3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine

C15H26N2 — CID 57365220

IUPAC3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)NCCc1ccccc1
InChIInChI=1S/C15H26N2/c1-3-14(4-2)15(12-16)17-11-10-13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12,16H2,1-2H3
InChIKeyPQJISKRXGDBRLY-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.58
Rot. Bonds8

About 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine

3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine (PubChem CID 57365220) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine
PubChem CID57365220
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)NCCc1ccccc1
InChIInChI=1S/C15H26N2/c1-3-14(4-2)15(12-16)17-11-10-13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12,16H2,1-2H3
InChIKeyPQJISKRXGDBRLY-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-N-(2-phenylethyl)pentane-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

3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
2-(2-phenylethylamino)butan-1-ol
CID 17157372
4-benzyl-N-propylhexan-3-amine
CID 79307889
4-(aminomethyl)-1-phenylhexan-3-ol
CID 65187755
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
3,3-diphenyl-2-N-propylpropane-1,2-diamine
CID 107292802
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine
CID 71061994
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
1-cyclohexyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 57365235
N-(2-phenylethyl)octan-4-amine
CID 11128217

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine (CID 57365220) is 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine is CCC(CC)C(CN)NCCc1ccccc1.
What is the InChIKey of 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine?
The InChIKey is PQJISKRXGDBRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-14(4-2)15(12-16)17-11-10-13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12,16H2,1-2H3.
What are the key properties of 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine?
3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine is sourced from PubChem (CID 57365220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).