ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine

C15H26N2 — CID 142071019

IUPACethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine
SMILESC=C/C(CN)=C1/C=CC=C/C1=N\C.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-3-9(8-12)10-6-4-5-7-11(10)13-2;2*1-2/h3-7H,1,8,12H2,2H3;2*1-2H3/b10-9+,13-11+;;
InChIKeyGARUBHCNBQUHDS-HJBHAQOXSA-N
MW234.39 g/mol
LogP3.68
Rot. Bonds2

About ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine

ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine (PubChem CID 142071019) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine.

Molecular Properties

Compound Nameethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine
PubChem CID142071019
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine
SMILESC=C/C(CN)=C1/C=CC=C/C1=N\C.CC.CC
InChIInChI=1S/C11H14N2.2C2H6/c1-3-9(8-12)10-6-4-5-7-11(10)13-2;2*1-2/h3-7H,1,8,12H2,2H3;2*1-2H3/b10-9+,13-11+;;
InChIKeyGARUBHCNBQUHDS-HJBHAQOXSA-N
XLogP3.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine?
The IUPAC name of ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine (CID 142071019) is ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine.
What is the SMILES notation for ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine?
The canonical SMILES for ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine is C=C/C(CN)=C1/C=CC=C/C1=N\C.CC.CC.
What is the InChIKey of ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine?
The InChIKey is GARUBHCNBQUHDS-HJBHAQOXSA-N. The full InChI is InChI=1S/C11H14N2.2C2H6/c1-3-9(8-12)10-6-4-5-7-11(10)13-2;2*1-2/h3-7H,1,8,12H2,2H3;2*1-2H3/b10-9+,13-11+;;.
What are the key properties of ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine?
ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-(6-methyliminocyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine is sourced from PubChem (CID 142071019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).