1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine

C16H34N2 — CID 63915177

IUPAC1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC(CC)CC)C1CC1
InChIInChI=1S/C16H34N2/c1-5-11-17-16(15-9-10-15)13-18(8-4)12-14(6-2)7-3/h14-17H,5-13H2,1-4H3
InChIKeyQQJGLHORUKIEEO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds11

About 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine

1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine (PubChem CID 63915177) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
PubChem CID63915177
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC(CC)CC)C1CC1
InChIInChI=1S/C16H34N2/c1-5-11-17-16(15-9-10-15)13-18(8-4)12-14(6-2)7-3/h14-17H,5-13H2,1-4H3
InChIKeyQQJGLHORUKIEEO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-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

1-cyclopropyl-N'-ethyl-N'-(2-methylbutyl)-N-propylethane-1,2-diamine
CID 79476656
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317
3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propan-1-ol
CID 64825940
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618
1-cyclopropyl-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63913678
1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 63913660
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine (CID 63915177) is 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine is CCCNC(CN(CC)CC(CC)CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine?
The InChIKey is QQJGLHORUKIEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-11-17-16(15-9-10-15)13-18(8-4)12-14(6-2)7-3/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine?
1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 63915177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).