(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine

C15H27N3 — CID 126599255

IUPAC(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CCCC(C=C)C(C)C)\N=C\C
InChIInChI=1S/C15H27N3/c1-6-13(11(3)4)9-8-10-14(18-7-2)15(17)12(5)16/h6-7,11,13,16H,1,8-10,17H2,2-5H3/b15-14+,16-12+,18-7+
InChIKeyUEDFVAPWIMEIRV-YUSNNGBISA-N
MW249.40 g/mol
LogP3.92
Rot. Bonds8

About (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine

(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine (PubChem CID 126599255) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine.

Molecular Properties

Compound Name(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine
PubChem CID126599255
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CCCC(C=C)C(C)C)\N=C\C
InChIInChI=1S/C15H27N3/c1-6-13(11(3)4)9-8-10-14(18-7-2)15(17)12(5)16/h6-7,11,13,16H,1,8-10,17H2,2-5H3/b15-14+,16-12+,18-7+
InChIKeyUEDFVAPWIMEIRV-YUSNNGBISA-N
XLogP3.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.92
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-8-propan-2-yldeca-3,9-dien-3-amine?
The IUPAC name of (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine (CID 126599255) is (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine.
What is the SMILES notation for (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine?
The canonical SMILES for (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine is [H]/N=C(C)/C(N)=C(CCCC(C=C)C(C)C)\N=C\C.
What is the InChIKey of (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine?
The InChIKey is UEDFVAPWIMEIRV-YUSNNGBISA-N. The full InChI is InChI=1S/C15H27N3/c1-6-13(11(3)4)9-8-10-14(18-7-2)15(17)12(5)16/h6-7,11,13,16H,1,8-10,17H2,2-5H3/b15-14+,16-12+,18-7+.
What are the key properties of (3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine?
(3E)-4-(ethylideneamino)-2-imino-8-propan-2-yldeca-3,9-dien-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.92, 8 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-8-propan-2-yldeca-3,9-dien-3-amine is sourced from PubChem (CID 126599255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).