N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine

C13H17N — CID 91026515

IUPACN-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine
SMILESC=c1ccccc1=CC(=CC)CNC
InChIInChI=1S/C13H17N/c1-4-12(10-14-3)9-13-8-6-5-7-11(13)2/h4-9,14H,2,10H2,1,3H3
InChIKeyHYJPISFGLFQPIP-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine

N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine (PubChem CID 91026515) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine
PubChem CID91026515
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine
SMILESC=c1ccccc1=CC(=CC)CNC
InChIInChI=1S/C13H17N/c1-4-12(10-14-3)9-13-8-6-5-7-11(13)2/h4-9,14H,2,10H2,1,3H3
InChIKeyHYJPISFGLFQPIP-UHFFFAOYSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methyl]amine
CID 178190289
Dimethyldihydropyridine
CID 424460
3-Methylen-1,2,3,6-tetrahydropyridine
CID 129860157
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(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
N-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
CID 142138471
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
CID 142367099

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine?
The IUPAC name of N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine (CID 91026515) is N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine?
The canonical SMILES for N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine is C=c1ccccc1=CC(=CC)CNC.
What is the InChIKey of N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine?
The InChIKey is HYJPISFGLFQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-12(10-14-3)9-13-8-6-5-7-11(13)2/h4-9,14H,2,10H2,1,3H3.
What are the key properties of N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine?
N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine is sourced from PubChem (CID 91026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).