(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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Related Compounds

N-Methylfarnesylamine
CID 6433497
2,3-Dihydroisoquinoline
CID 4961379
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
3,3-Dimethylisoquinoline
CID 129780060
3-Methylen-1,2,3,6-tetrahydropyridine
CID 129860157
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E)-N-ethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 88612823
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
6-Fluoro-5-methyl-1,2-dihydropyridine
CID 129090162
(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
CID 129146420
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 142112936

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).