(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine

C14H23N3 — CID 146367002

IUPAC(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CCCC(=C=C)CC)\N=C\C
InChIInChI=1S/C14H23N3/c1-5-12(6-2)9-8-10-13(17-7-3)14(16)11(4)15/h7,15H,1,6,8-10,16H2,2-4H3/b14-13+,15-11+,17-7+
InChIKeyLPYBHWVUYSOAMN-INPDXVKYSA-N
MW233.36 g/mol
LogP3.58
Rot. Bonds7

About (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine

(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine (PubChem CID 146367002) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine.

Molecular Properties

Compound Name(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine
PubChem CID146367002
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CCCC(=C=C)CC)\N=C\C
InChIInChI=1S/C14H23N3/c1-5-12(6-2)9-8-10-13(17-7-3)14(16)11(4)15/h7,15H,1,6,8-10,16H2,2-4H3/b14-13+,15-11+,17-7+
InChIKeyLPYBHWVUYSOAMN-INPDXVKYSA-N
XLogP3.58
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine 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

2-(Methyliminomethyl)cyclohexen-1-amine
CID 89395280
2-(Ethyliminomethyl)cyclohexen-1-amine
CID 89395306
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
N-(2-methanimidoylcyclopenten-1-yl)ethanimine
CID 117661449
1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine
CID 123377636
6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
CID 123953591
N-[(1Z)-2-methanimidoylcycloundecen-1-yl]ethanimine
CID 132001613
ethane;(2Z)-1-N-methyl-2-[1-(methylideneamino)ethylidene]pentane-1,4-diimine
CID 141838865
(E)-4-ethyl-5-(ethylideneamino)hex-4-en-1-amine
CID 141889668
1-[2-(Ethylideneamino)cyclohexen-1-yl]pentan-1-imine
CID 141889859
ethane;N-(2-methylcyclohexen-1-yl)ethanimine
CID 142549059

Frequently Asked Questions

What is the IUPAC name of (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine?
The IUPAC name of (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine (CID 146367002) is (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine.
What is the SMILES notation for (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine?
The canonical SMILES for (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine is [H]/N=C(C)/C(N)=C(CCCC(=C=C)CC)\N=C\C.
What is the InChIKey of (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine?
The InChIKey is LPYBHWVUYSOAMN-INPDXVKYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-12(6-2)9-8-10-13(17-7-3)14(16)11(4)15/h7,15H,1,6,8-10,16H2,2-4H3/b14-13+,15-11+,17-7+.
What are the key properties of (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine?
(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine is sourced from PubChem (CID 146367002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).