1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine

C11H22N2 — CID 118946185

IUPAC1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
SMILESC=CC(NC=C(CC)CC)N(C)C
InChIInChI=1S/C11H22N2/c1-6-10(7-2)9-12-11(8-3)13(4)5/h8-9,11-12H,3,6-7H2,1-2,4-5H3
InChIKeyRKLZRCQLANTISA-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.35
Rot. Bonds6

About 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine

1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine (PubChem CID 118946185) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
PubChem CID118946185
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
SMILESC=CC(NC=C(CC)CC)N(C)C
InChIInChI=1S/C11H22N2/c1-6-10(7-2)9-12-11(8-3)13(4)5/h8-9,11-12H,3,6-7H2,1-2,4-5H3
InChIKeyRKLZRCQLANTISA-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
The IUPAC name of 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine (CID 118946185) is 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine is C=CC(NC=C(CC)CC)N(C)C.
What is the InChIKey of 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
The InChIKey is RKLZRCQLANTISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-10(7-2)9-12-11(8-3)13(4)5/h8-9,11-12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine?
1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine is sourced from PubChem (CID 118946185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).