N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine

C16H28N2 — CID 62574894

IUPACN'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(CC)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-3-5-9-12-17-13-14-18(4-2)15-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3
InChIKeyHEBCKHSDRCHADE-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds10

About N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine

N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine (PubChem CID 62574894) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
PubChem CID62574894
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(CC)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-3-5-9-12-17-13-14-18(4-2)15-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3
InChIKeyHEBCKHSDRCHADE-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-ethyl-N-pentylethane-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-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729
N'-benzyl-N'-ethyl-N-heptan-2-ylethane-1,2-diamine
CID 63502856
N'-benzyl-N-(2-benzylsulfanylethyl)-N'-ethylethane-1,2-diamine
CID 118585186
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N,N-dibenzyldodecan-1-amine
CID 11508874
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
N-(3-phenylpropyl)undecan-1-amine
CID 10469447

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine (CID 62574894) is N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine is CCCCCNCCN(CC)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine?
The InChIKey is HEBCKHSDRCHADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-5-9-12-17-13-14-18(4-2)15-16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-15H2,1-2H3.
What are the key properties of N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine?
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine is sourced from PubChem (CID 62574894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).