(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine

C14H23N3 — CID 146367196

IUPAC(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CC(C)C(=C=C)CC)\N=C\C
InChIInChI=1S/C14H23N3/c1-6-12(7-2)10(4)9-13(17-8-3)14(16)11(5)15/h8,10,15H,1,7,9,16H2,2-5H3/b14-13+,15-11+,17-8+
InChIKeyBLPXVBSBKJOCJV-AWAOPURXSA-N
MW233.36 g/mol
LogP3.43
Rot. Bonds6

About (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine

(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine (PubChem CID 146367196) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine.

Molecular Properties

Compound Name(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine
PubChem CID146367196
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine
SMILES[H]/N=C(C)/C(N)=C(CC(C)C(=C=C)CC)\N=C\C
InChIInChI=1S/C14H23N3/c1-6-12(7-2)10(4)9-13(17-8-3)14(16)11(5)15/h8,10,15H,1,7,9,16H2,2-5H3/b14-13+,15-11+,17-8+
InChIKeyBLPXVBSBKJOCJV-AWAOPURXSA-N
XLogP3.43
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine?
The IUPAC name of (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine (CID 146367196) is (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine.
What is the SMILES notation for (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine?
The canonical SMILES for (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine is [H]/N=C(C)/C(N)=C(CC(C)C(=C=C)CC)\N=C\C.
What is the InChIKey of (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine?
The InChIKey is BLPXVBSBKJOCJV-AWAOPURXSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-12(7-2)10(4)9-13(17-8-3)14(16)11(5)15/h8,10,15H,1,7,9,16H2,2-5H3/b14-13+,15-11+,17-8+.
What are the key properties of (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine?
(3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-ethyl-4-(ethylideneamino)-2-imino-6-methylnona-3,7,8-trien-3-amine is sourced from PubChem (CID 146367196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).