1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine

C10H19N3 — CID 137409834

IUPAC1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine
SMILES[H]/N=C(\C)CCC(=C)N(CC)C(=C)N
InChIInChI=1S/C10H19N3/c1-5-13(10(4)12)9(3)7-6-8(2)11/h11H,3-7,12H2,1-2H3/b11-8+
InChIKeyUYPFRBNPKMXXNV-DHZHZOJOSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds6

About 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine

1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine (PubChem CID 137409834) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine
PubChem CID137409834
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine
SMILES[H]/N=C(\C)CCC(=C)N(CC)C(=C)N
InChIInChI=1S/C10H19N3/c1-5-13(10(4)12)9(3)7-6-8(2)11/h11H,3-7,12H2,1-2H3/b11-8+
InChIKeyUYPFRBNPKMXXNV-DHZHZOJOSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-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

Related Compounds

(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine
CID 126734368
(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
CID 143342015

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine (CID 137409834) is 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine is [H]/N=C(\C)CCC(=C)N(CC)C(=C)N.
What is the InChIKey of 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine?
The InChIKey is UYPFRBNPKMXXNV-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-13(10(4)12)9(3)7-6-8(2)11/h11H,3-7,12H2,1-2H3/b11-8+.
What are the key properties of 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine?
1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine is sourced from PubChem (CID 137409834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).