N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

C12H20N2 — CID 79508371

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1=CCC(CNC2=NCCCC2)CC1
InChIInChI=1S/C12H20N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-2,11H,3-10H2,(H,13,14)
InChIKeyANFDNKAUCZYHDI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.51
Rot. Bonds2

About N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508371) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508371
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1=CCC(CNC2=NCCCC2)CC1
InChIInChI=1S/C12H20N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-2,11H,3-10H2,(H,13,14)
InChIKeyANFDNKAUCZYHDI-UHFFFAOYSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.51
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-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508371) is N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is C1=CCC(CNC2=NCCCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is ANFDNKAUCZYHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-2,11H,3-10H2,(H,13,14).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 192.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).