2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine

C25H45N — CID 6425935

IUPAC2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
SMILESCCCCC(CC)CN(CCCc1ccccc1)CC(CC)CCCC
InChIInChI=1S/C25H45N/c1-5-9-15-23(7-3)21-26(22-24(8-4)16-10-6-2)20-14-19-25-17-12-11-13-18-25/h11-13,17-18,23-24H,5-10,14-16,19-22H2,1-4H3
InChIKeyKZXMTQKACJWYEJ-UHFFFAOYSA-N
MW359.64 g/mol
LogP7.35
Rot. Bonds16

About 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine

2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine (PubChem CID 6425935) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
PubChem CID6425935
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
SMILESCCCCC(CC)CN(CCCc1ccccc1)CC(CC)CCCC
InChIInChI=1S/C25H45N/c1-5-9-15-23(7-3)21-26(22-24(8-4)16-10-6-2)20-14-19-25-17-12-11-13-18-25/h11-13,17-18,23-24H,5-10,14-16,19-22H2,1-4H3
InChIKeyKZXMTQKACJWYEJ-UHFFFAOYSA-N
XLogP7.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine 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'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
6-ethyl-1-phenyldecan-4-amine
CID 105102887
3-ethylundecylbenzene
CID 101046196
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
6-benzyldecylbenzene
CID 54156815
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
5-ethyl-1-phenylnonan-3-amine
CID 63417135

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine (CID 6425935) is 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine is CCCCC(CC)CN(CCCc1ccccc1)CC(CC)CCCC.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine?
The InChIKey is KZXMTQKACJWYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N/c1-5-9-15-23(7-3)21-26(22-24(8-4)16-10-6-2)20-14-19-25-17-12-11-13-18-25/h11-13,17-18,23-24H,5-10,14-16,19-22H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine?
2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine has a molecular weight of 359.64 g/mol, XLogP of 7.35, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine is sourced from PubChem (CID 6425935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).