(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine

C8H15N — CID 118531752

IUPAC(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine
SMILESCC1=C[C@H](N)C[C@H](C)C1
InChIInChI=1S/C8H15N/c1-6-3-7(2)5-8(9)4-6/h4,7-8H,3,5,9H2,1-2H3/t7-,8+/m1/s1
InChIKeyDOLGHLRUWXSCDZ-SFYZADRCSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds

About (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine

(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine (PubChem CID 118531752) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine
PubChem CID118531752
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine
SMILESCC1=C[C@H](N)C[C@H](C)C1
InChIInChI=1S/C8H15N/c1-6-3-7(2)5-8(9)4-6/h4,7-8H,3,5,9H2,1-2H3/t7-,8+/m1/s1
InChIKeyDOLGHLRUWXSCDZ-SFYZADRCSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine (CID 118531752) is (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine is CC1=C[C@H](N)C[C@H](C)C1.
What is the InChIKey of (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is DOLGHLRUWXSCDZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N/c1-6-3-7(2)5-8(9)4-6/h4,7-8H,3,5,9H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine?
(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 118531752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).