N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine

C10H18N2 — CID 174063213

IUPACN-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine
SMILESC=C(C)C(=C/C=N/CC)NCC
InChIInChI=1S/C10H18N2/c1-5-11-8-7-10(9(3)4)12-6-2/h7-8,12H,3,5-6H2,1-2,4H3/b10-7?,11-8+
InChIKeyUHXPWJDSXLCXHX-WEUQBPLZSA-N
MW166.27 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine

N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine (PubChem CID 174063213) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine
PubChem CID174063213
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine
SMILESC=C(C)C(=C/C=N/CC)NCC
InChIInChI=1S/C10H18N2/c1-5-11-8-7-10(9(3)4)12-6-2/h7-8,12H,3,5-6H2,1-2,4H3/b10-7?,11-8+
InChIKeyUHXPWJDSXLCXHX-WEUQBPLZSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
The IUPAC name of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine (CID 174063213) is N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine.
What is the SMILES notation for N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
The canonical SMILES for N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine is C=C(C)C(=C/C=N/CC)NCC.
What is the InChIKey of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
The InChIKey is UHXPWJDSXLCXHX-WEUQBPLZSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-11-8-7-10(9(3)4)12-6-2/h7-8,12H,3,5-6H2,1-2,4H3/b10-7?,11-8+.
What are the key properties of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine is sourced from PubChem (CID 174063213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).