(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine

C12H17N — CID 138478230

IUPAC(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine
SMILESCC/C=c1/cccc/c1=C/CNC
InChIInChI=1S/C12H17N/c1-3-6-11-7-4-5-8-12(11)9-10-13-2/h4-9,13H,3,10H2,1-2H3/b11-6-,12-9-
InChIKeyIKVUUTDWFWAGMH-WMKSJQGLSA-N
MW175.28 g/mol
LogP0.88
Rot. Bonds3

About (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine

(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine (PubChem CID 138478230) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine.

Molecular Properties

Compound Name(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine
PubChem CID138478230
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine
SMILESCC/C=c1/cccc/c1=C/CNC
InChIInChI=1S/C12H17N/c1-3-6-11-7-4-5-8-12(11)9-10-13-2/h4-9,13H,3,10H2,1-2H3/b11-6-,12-9-
InChIKeyIKVUUTDWFWAGMH-WMKSJQGLSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine?
The IUPAC name of (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine (CID 138478230) is (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine.
What is the SMILES notation for (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine?
The canonical SMILES for (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine is CC/C=c1/cccc/c1=C/CNC.
What is the InChIKey of (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine?
The InChIKey is IKVUUTDWFWAGMH-WMKSJQGLSA-N. The full InChI is InChI=1S/C12H17N/c1-3-6-11-7-4-5-8-12(11)9-10-13-2/h4-9,13H,3,10H2,1-2H3/b11-6-,12-9-.
What are the key properties of (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine?
(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine has a molecular weight of 175.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine is sourced from PubChem (CID 138478230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).