(1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine

C10H19N — CID 59954416

IUPAC(1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine
SMILESCN[C@@H]1C=C(C)C[C@H](C)[C@H]1C
InChIInChI=1S/C10H19N/c1-7-5-8(2)9(3)10(6-7)11-4/h6,8-11H,5H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyYJBPDLKFXDWSJV-IVZWLZJFSA-N
MW153.27 g/mol
LogP2.20
Rot. Bonds1

About (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine

(1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine (PubChem CID 59954416) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine
PubChem CID59954416
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine
SMILESCN[C@@H]1C=C(C)C[C@H](C)[C@H]1C
InChIInChI=1S/C10H19N/c1-7-5-8(2)9(3)10(6-7)11-4/h6,8-11H,5H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyYJBPDLKFXDWSJV-IVZWLZJFSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.20
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 (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine?
The IUPAC name of (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine (CID 59954416) is (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine.
What is the SMILES notation for (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine?
The canonical SMILES for (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine is CN[C@@H]1C=C(C)C[C@H](C)[C@H]1C.
What is the InChIKey of (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine?
The InChIKey is YJBPDLKFXDWSJV-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19N/c1-7-5-8(2)9(3)10(6-7)11-4/h6,8-11H,5H2,1-4H3/t8-,9+,10+/m0/s1.
What are the key properties of (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine?
(1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-N,3,5,6-tetramethylcyclohex-2-en-1-amine is sourced from PubChem (CID 59954416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).