(3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine

C14H23N3 — CID 175630467

IUPAC(3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine
SMILES[H]/N=C(\C)CNC1=C/C(=C(\CC)NC)CC=C1C
InChIInChI=1S/C14H23N3/c1-5-13(16-4)12-7-6-10(2)14(8-12)17-9-11(3)15/h6,8,15-17H,5,7,9H2,1-4H3/b13-12+,15-11+
InChIKeyZRNWVSLTAYRMOX-GLZRVVIGSA-N
MW233.36 g/mol
LogP2.73
Rot. Bonds5

About (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine

(3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine (PubChem CID 175630467) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine
PubChem CID175630467
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine
SMILES[H]/N=C(\C)CNC1=C/C(=C(\CC)NC)CC=C1C
InChIInChI=1S/C14H23N3/c1-5-13(16-4)12-7-6-10(2)14(8-12)17-9-11(3)15/h6,8,15-17H,5,7,9H2,1-4H3/b13-12+,15-11+
InChIKeyZRNWVSLTAYRMOX-GLZRVVIGSA-N
XLogP2.73
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
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)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine?
The IUPAC name of (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine (CID 175630467) is (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine is [H]/N=C(\C)CNC1=C/C(=C(\CC)NC)CC=C1C.
What is the InChIKey of (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine?
The InChIKey is ZRNWVSLTAYRMOX-GLZRVVIGSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-13(16-4)12-7-6-10(2)14(8-12)17-9-11(3)15/h6,8,15-17H,5,7,9H2,1-4H3/b13-12+,15-11+.
What are the key properties of (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine?
(3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-iminopropyl)-6-methyl-3-[1-(methylamino)propylidene]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 175630467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).