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

C13H23N3 — CID 146635344

IUPAC(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-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/c1-5-7-8-10(3)9-12(16-6-2)13(15)11(4)14/h5-7,10,14H,8-9,15H2,1-4H3/b7-5+,13-12+,14-11+,16-6+
InChIKeyKQUUMJXZKOPJQC-DPIPOEEOSA-N
MW221.35 g/mol
LogP3.28
Rot. Bonds6

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

(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine (PubChem CID 146635344) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine.

Molecular Properties

Compound Name(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine
PubChem CID146635344
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-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/c1-5-7-8-10(3)9-12(16-6-2)13(15)11(4)14/h5-7,10,14H,8-9,15H2,1-4H3/b7-5+,13-12+,14-11+,16-6+
InChIKeyKQUUMJXZKOPJQC-DPIPOEEOSA-N
XLogP3.28
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 ≤ 53.28
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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Related Compounds

CID 126598647
CID 126598647
CID 90709896
CID 90709896
CID 91176798
CID 91176798
CID 91216602
CID 91216602
CID 91420602
CID 91420602
CID 123259885
CID 123259885
CID 123449068
CID 123449068
CID 123490439
CID 123490439
CID 123537731
CID 123537731
CID 126599255
CID 126599255
CID 130374712
CID 130374712
CID 134345725
CID 134345725

Frequently Asked Questions

What is the IUPAC name of (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine?
The IUPAC name of (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine (CID 146635344) is (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine.
What is the SMILES notation for (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine?
The canonical SMILES for (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-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,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine?
The InChIKey is KQUUMJXZKOPJQC-DPIPOEEOSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-8-10(3)9-12(16-6-2)13(15)11(4)14/h5-7,10,14H,8-9,15H2,1-4H3/b7-5+,13-12+,14-11+,16-6+.
What are the key properties of (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine?
(3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8E)-4-(ethylideneamino)-2-imino-6-methyldeca-3,8-dien-3-amine is sourced from PubChem (CID 146635344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).