N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine

C12H16N2 — CID 57083440

IUPACN-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
SMILESCN(C1=CC=CCC1)C1=NC=CCC1
InChIInChI=1S/C12H16N2/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13-12/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyFOQAMSRDHPZOOO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.86
Rot. Bonds1

About N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine

N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine (PubChem CID 57083440) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
PubChem CID57083440
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
SMILESCN(C1=CC=CCC1)C1=NC=CCC1
InChIInChI=1S/C12H16N2/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13-12/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyFOQAMSRDHPZOOO-UHFFFAOYSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N,3-triethyl-3H-azepin-2-amine
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N,N-diethyl-3-propan-2-yl-3H-azepin-2-amine
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CID 134989134
N,N-diethyl-3H-azepin-2-amine-3,4,5,6,7-d5
CID 172418768
2-dipropylamino-3H-azepine
CID 20311263
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666531
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
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CID 134387420

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine (CID 57083440) is N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine is CN(C1=CC=CCC1)C1=NC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine?
The InChIKey is FOQAMSRDHPZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14(11-7-3-2-4-8-11)12-9-5-6-10-13-12/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine?
N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 57083440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).