N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine

C13H19N — CID 139572030

IUPACN-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)C1=C(C)C=CCC1C
InChIInChI=1S/C13H19N/c1-9(2)14-12(5)13-10(3)7-6-8-11(13)4/h6-7,11,14H,1,5,8H2,2-4H3
InChIKeyZJLKFKGGWRHRFC-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine

N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine (PubChem CID 139572030) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine
PubChem CID139572030
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)C1=C(C)C=CCC1C
InChIInChI=1S/C13H19N/c1-9(2)14-12(5)13-10(3)7-6-8-11(13)4/h6-7,11,14H,1,5,8H2,2-4H3
InChIKeyZJLKFKGGWRHRFC-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylprop-2-en-1-imine
CID 130239233
2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene
CID 143629884
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
CID 155717721
2,6-dimethyl-1-(3-methylidenepent-4-enyl)cyclohexa-1,3-diene;3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine;5-methyl-1,4-di(propan-2-yl)cyclohexa-1,3-diene;propane;prop-1-yne
CID 143629882
N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
CID 135012318
6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine
CID 155415794
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
carbanide;N-[(6R)-2,6-dimethylcyclohexa-1,3-dien-1-yl]-1-[6-[N-[(6S)-2,6-dimethylcyclohexa-1,3-dien-1-yl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 169018191
N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide
CID 134569543
2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 154518719

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine (CID 139572030) is N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine is C=C(C)NC(=C)C1=C(C)C=CCC1C.
What is the InChIKey of N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine?
The InChIKey is ZJLKFKGGWRHRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)14-12(5)13-10(3)7-6-8-11(13)4/h6-7,11,14H,1,5,8H2,2-4H3.
What are the key properties of N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine?
N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 139572030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).