N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine

C15H20N2 — CID 22758288

IUPACN,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=CCCC(c2cccnc2)=C1
InChIInChI=1S/C15H20N2/c1-3-17(4-2)15-9-5-7-13(11-15)14-8-6-10-16-12-14/h6,8-12H,3-5,7H2,1-2H3
InChIKeyHLEYMXKAYJMYGE-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.48
Rot. Bonds4

About N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine

N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine (PubChem CID 22758288) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine
PubChem CID22758288
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=CCCC(c2cccnc2)=C1
InChIInChI=1S/C15H20N2/c1-3-17(4-2)15-9-5-7-13(11-15)14-8-6-10-16-12-14/h6,8-12H,3-5,7H2,1-2H3
InChIKeyHLEYMXKAYJMYGE-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 22758233
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 154759721
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)pyridine
CID 10942960
cyclopenta[c]azepine
CID 638010
N-(4,5-dihydro-1,3-thiazol-2-yl)-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 90019138
ethylphosphane;3-(3-methylphenyl)pyridine
CID 144632052
3-azulen-6-ylpyridine
CID 86232079
N,N-dimethyl-1-(2-pyridin-3-ylcyclohex-2-en-1-yl)methanamine;hydrochloride
CID 69220584
N-propyl-N-[(2-pyridin-3-ylcyclohex-2-en-1-yl)methyl]propan-1-amine;hydrochloride
CID 69223024

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine (CID 22758288) is N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine is CCN(CC)C1=CCCC(c2cccnc2)=C1.
What is the InChIKey of N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is HLEYMXKAYJMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-17(4-2)15-9-5-7-13(11-15)14-8-6-10-16-12-14/h6,8-12H,3-5,7H2,1-2H3.
What are the key properties of N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine?
N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-pyridin-3-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 22758288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).