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

C14H25N3 — CID 146366972

IUPAC(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CCCC(C=C)CC)\N=C\C
InChIInChI=1S/C14H25N3/c1-5-12(6-2)9-8-10-13(17-7-3)14(16)11(4)15/h5,7,12,15H,1,6,8-10,16H2,2-4H3/b14-13+,15-11+,17-7+
InChIKeyCRUCVHHQSOOEHS-INPDXVKYSA-N
MW235.38 g/mol
LogP3.67
Rot. Bonds8

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

(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine (PubChem CID 146366972) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine.

Molecular Properties

Compound Name(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine
PubChem CID146366972
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CCCC(C=C)CC)\N=C\C
InChIInChI=1S/C14H25N3/c1-5-12(6-2)9-8-10-13(17-7-3)14(16)11(4)15/h5,7,12,15H,1,6,8-10,16H2,2-4H3/b14-13+,15-11+,17-7+
InChIKeyCRUCVHHQSOOEHS-INPDXVKYSA-N
XLogP3.67
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine?
The IUPAC name of (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine (CID 146366972) is (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine.
What is the SMILES notation for (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine?
The canonical SMILES for (3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-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-3,9-dien-3-amine?
The InChIKey is CRUCVHHQSOOEHS-INPDXVKYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-12(6-2)9-8-10-13(17-7-3)14(16)11(4)15/h5,7,12,15H,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-3,9-dien-3-amine?
(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,9-dien-3-amine has a molecular weight of 235.38 g/mol, XLogP of 3.67, 8 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-3,9-dien-3-amine is sourced from PubChem (CID 146366972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).