(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine

C14H17N3 — CID 146604247

IUPAC(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cc(=C)ccccc(=C)n1C
InChIInChI=1S/C14H17N3/c1-11-6-4-5-7-12(2)17(3)14(8-11)13(9-15)10-16/h4-10,15H,1-2,16H2,3H3/b6-4-,7-5-,13-10+,14-8-,15-9+
InChIKeyLJEKEBSWZFIPNQ-BRGFUDHUSA-N
MW227.31 g/mol
LogP0.92
Rot. Bonds2

About (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine

(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine (PubChem CID 146604247) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine
PubChem CID146604247
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cc(=C)ccccc(=C)n1C
InChIInChI=1S/C14H17N3/c1-11-6-4-5-7-12(2)17(3)14(8-11)13(9-15)10-16/h4-10,15H,1-2,16H2,3H3/b6-4-,7-5-,13-10+,14-8-,15-9+
InChIKeyLJEKEBSWZFIPNQ-BRGFUDHUSA-N
XLogP0.92
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.92
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 (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine (CID 146604247) is (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)c1cc(=C)ccccc(=C)n1C.
What is the InChIKey of (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine?
The InChIKey is LJEKEBSWZFIPNQ-BRGFUDHUSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-6-4-5-7-12(2)17(3)14(8-11)13(9-15)10-16/h4-10,15H,1-2,16H2,3H3/b6-4-,7-5-,13-10+,14-8-,15-9+.
What are the key properties of (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine has a molecular weight of 227.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 146604247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).