4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine

C13H24N2 — CID 70974415

IUPAC4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine
SMILESCC1C[C@@H](C)CN(C2C=CC(N)CC2)C1
InChIInChI=1S/C13H24N2/c1-10-7-11(2)9-15(8-10)13-5-3-12(14)4-6-13/h3,5,10-13H,4,6-9,14H2,1-2H3/t10-,11?,12?,13?/m1/s1
InChIKeyDGARBQOGGHDQCX-PEWWYSNMSA-N
MW208.35 g/mol
LogP2.01
Rot. Bonds1

About 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine

4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine (PubChem CID 70974415) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine
PubChem CID70974415
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine
SMILESCC1C[C@@H](C)CN(C2C=CC(N)CC2)C1
InChIInChI=1S/C13H24N2/c1-10-7-11(2)9-15(8-10)13-5-3-12(14)4-6-13/h3,5,10-13H,4,6-9,14H2,1-2H3/t10-,11?,12?,13?/m1/s1
InChIKeyDGARBQOGGHDQCX-PEWWYSNMSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.01
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 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine (CID 70974415) is 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine is CC1C[C@@H](C)CN(C2C=CC(N)CC2)C1.
What is the InChIKey of 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine?
The InChIKey is DGARBQOGGHDQCX-PEWWYSNMSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-7-11(2)9-15(8-10)13-5-3-12(14)4-6-13/h3,5,10-13H,4,6-9,14H2,1-2H3/t10-,11?,12?,13?/m1/s1.
What are the key properties of 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine?
4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 70974415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).