4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine

C17H19N — CID 58121825

IUPAC4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=c1/cccc/c1=C\NC1C=CC(C)=CC1
InChIInChI=1S/C17H19N/c1-3-6-15-7-4-5-8-16(15)13-18-17-11-9-14(2)10-12-17/h3-11,13,17-18H,1,12H2,2H3/b15-6-,16-13+
InChIKeyUECWCWPSJUDZQE-CHQHTEKXSA-N
MW237.35 g/mol
LogP2.26
Rot. Bonds3

About 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine

4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine (PubChem CID 58121825) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine
PubChem CID58121825
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=c1/cccc/c1=C\NC1C=CC(C)=CC1
InChIInChI=1S/C17H19N/c1-3-6-15-7-4-5-8-16(15)13-18-17-11-9-14(2)10-12-17/h3-11,13,17-18H,1,12H2,2H3/b15-6-,16-13+
InChIKeyUECWCWPSJUDZQE-CHQHTEKXSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine (CID 58121825) is 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine is C=C/C=c1/cccc/c1=C\NC1C=CC(C)=CC1.
What is the InChIKey of 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is UECWCWPSJUDZQE-CHQHTEKXSA-N. The full InChI is InChI=1S/C17H19N/c1-3-6-15-7-4-5-8-16(15)13-18-17-11-9-14(2)10-12-17/h3-11,13,17-18H,1,12H2,2H3/b15-6-,16-13+.
What are the key properties of 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 58121825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).