6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine

C14H27N3 — CID 123490439

IUPAC6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
SMILESCCCC(CC)C/C(=N\CC)C(N)=C/C=N/C
InChIInChI=1S/C14H27N3/c1-5-8-12(6-2)11-14(17-7-3)13(15)9-10-16-4/h9-10,12H,5-8,11,15H2,1-4H3/b13-9?,16-10+,17-14+
InChIKeyFOWPXLQNYHXIIQ-VXBXVRRFSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds8

About 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine

6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine (PubChem CID 123490439) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine.

Molecular Properties

Compound Name6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
PubChem CID123490439
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
SMILESCCCC(CC)C/C(=N\CC)C(N)=C/C=N/C
InChIInChI=1S/C14H27N3/c1-5-8-12(6-2)11-14(17-7-3)13(15)9-10-16-4/h9-10,12H,5-8,11,15H2,1-4H3/b13-9?,16-10+,17-14+
InChIKeyFOWPXLQNYHXIIQ-VXBXVRRFSA-N
XLogP3.21
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-tert-butylimino-1-cyclohexylprop-1-en-1-amine
CID 135076649
CID 88870663
CID 88870663
4-Methyl-2-(methyliminomethyl)cyclohexen-1-amine
CID 89041577
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
(8Z)-5-methyl-2-methylidene-4,5,6,7-tetrahydro-3H-azecine
CID 117650577
3-Ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
CID 123161081
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
4-(3-Methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
CID 123823045
(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine
CID 126599255
(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine
CID 135141009

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine?
The IUPAC name of 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine (CID 123490439) is 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine.
What is the SMILES notation for 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine?
The canonical SMILES for 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine is CCCC(CC)C/C(=N\CC)C(N)=C/C=N/C.
What is the InChIKey of 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine?
The InChIKey is FOWPXLQNYHXIIQ-VXBXVRRFSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-12(6-2)11-14(17-7-3)13(15)9-10-16-4/h9-10,12H,5-8,11,15H2,1-4H3/b13-9?,16-10+,17-14+.
What are the key properties of 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine?
6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine is sourced from PubChem (CID 123490439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).