(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine

C13H23N3 — CID 146367004

IUPAC(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CC(C)C(C)C=C)\N=C\C
InChIInChI=1S/C13H23N3/c1-6-9(3)10(4)8-12(16-7-2)13(15)11(5)14/h6-7,9-10,14H,1,8,15H2,2-5H3/b13-12+,14-11+,16-7+
InChIKeyRCJZJTHOPHMKJS-JCGWXVDJSA-N
MW221.35 g/mol
LogP3.14
Rot. Bonds6

About (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine

(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine (PubChem CID 146367004) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine.

Molecular Properties

Compound Name(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine
PubChem CID146367004
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CC(C)C(C)C=C)\N=C\C
InChIInChI=1S/C13H23N3/c1-6-9(3)10(4)8-12(16-7-2)13(15)11(5)14/h6-7,9-10,14H,1,8,15H2,2-5H3/b13-12+,14-11+,16-7+
InChIKeyRCJZJTHOPHMKJS-JCGWXVDJSA-N
XLogP3.14
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.14
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)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine?
The IUPAC name of (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine (CID 146367004) is (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine.
What is the SMILES notation for (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine?
The canonical SMILES for (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine is [H]/N=C(C)/C(N)=C(CC(C)C(C)C=C)\N=C\C.
What is the InChIKey of (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine?
The InChIKey is RCJZJTHOPHMKJS-JCGWXVDJSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-9(3)10(4)8-12(16-7-2)13(15)11(5)14/h6-7,9-10,14H,1,8,15H2,2-5H3/b13-12+,14-11+,16-7+.
What are the key properties of (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine?
(3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(ethylideneamino)-2-imino-6,7-dimethylnona-3,8-dien-3-amine is sourced from PubChem (CID 146367004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).