(2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine

C10H17N3 — CID 146420145

IUPAC(2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
SMILES[H]/N=C/C(NCC)=C(\C=N\C)C(=C)C
InChIInChI=1S/C10H17N3/c1-5-13-10(6-11)9(7-12-4)8(2)3/h6-7,11,13H,2,5H2,1,3-4H3/b10-9-,11-6+,12-7+
InChIKeyQWHBGQWMBPGDIB-OMYMUDTISA-N
MW179.27 g/mol
LogP1.78
Rot. Bonds5

About (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine

(2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine (PubChem CID 146420145) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
PubChem CID146420145
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
SMILES[H]/N=C/C(NCC)=C(\C=N\C)C(=C)C
InChIInChI=1S/C10H17N3/c1-5-13-10(6-11)9(7-12-4)8(2)3/h6-7,11,13H,2,5H2,1,3-4H3/b10-9-,11-6+,12-7+
InChIKeyQWHBGQWMBPGDIB-OMYMUDTISA-N
XLogP1.78
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine (CID 146420145) is (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine is [H]/N=C/C(NCC)=C(\C=N\C)C(=C)C.
What is the InChIKey of (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The InChIKey is QWHBGQWMBPGDIB-OMYMUDTISA-N. The full InChI is InChI=1S/C10H17N3/c1-5-13-10(6-11)9(7-12-4)8(2)3/h6-7,11,13H,2,5H2,1,3-4H3/b10-9-,11-6+,12-7+.
What are the key properties of (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine?
(2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-1-imino-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 146420145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).