3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine

C19H34N2 — CID 63422232

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCCC(C)c1ccccc1)N(C)C
InChIInChI=1S/C19H34N2/c1-6-17(7-2)19(21(4)5)15-20-14-13-16(3)18-11-9-8-10-12-18/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3
InChIKeyIFKYKDLDULYCKO-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.14
Rot. Bonds10

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

3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine (PubChem CID 63422232) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
PubChem CID63422232
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCCC(C)c1ccccc1)N(C)C
InChIInChI=1S/C19H34N2/c1-6-17(7-2)19(21(4)5)15-20-14-13-16(3)18-11-9-8-10-12-18/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3
InChIKeyIFKYKDLDULYCKO-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)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-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
CID 43207997
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
3-ethyl-1-N-heptyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43130327
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine (CID 63422232) is 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine is CCC(CC)C(CNCCC(C)c1ccccc1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine?
The InChIKey is IFKYKDLDULYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-17(7-2)19(21(4)5)15-20-14-13-16(3)18-11-9-8-10-12-18/h8-12,16-17,19-20H,6-7,13-15H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 63422232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).