N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine

C12H20N2 — CID 130951993

IUPACN-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1(NC2=NCCCC2)CC=CCC1
InChIInChI=1S/C12H20N2/c1-12(8-4-2-5-9-12)14-11-7-3-6-10-13-11/h2,4H,3,5-10H2,1H3,(H,13,14)
InChIKeyUTKFEKMYVYROOI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.66
Rot. Bonds1

About N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 130951993) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID130951993
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1(NC2=NCCCC2)CC=CCC1
InChIInChI=1S/C12H20N2/c1-12(8-4-2-5-9-12)14-11-7-3-6-10-13-11/h2,4H,3,5-10H2,1H3,(H,13,14)
InChIKeyUTKFEKMYVYROOI-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 130951993) is N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine is CC1(NC2=NCCCC2)CC=CCC1.
What is the InChIKey of N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is UTKFEKMYVYROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(8-4-2-5-9-12)14-11-7-3-6-10-13-11/h2,4H,3,5-10H2,1H3,(H,13,14).
What are the key properties of N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 192.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohex-3-en-1-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 130951993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).