(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol

C9H17NO — CID 102264627

IUPAC(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
SMILESCC(C)N[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C9H17NO/c1-7(2)10-8-5-3-4-6-9(8)11/h3-4,7-11H,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKeySUBGGLRTXAYISL-RKDXNWHRSA-N
MW155.24 g/mol
LogP1.06
Rot. Bonds2

About (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol

(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol (PubChem CID 102264627) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
PubChem CID102264627
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
SMILESCC(C)N[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C9H17NO/c1-7(2)10-8-5-3-4-6-9(8)11/h3-4,7-11H,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKeySUBGGLRTXAYISL-RKDXNWHRSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
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 (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol?
The IUPAC name of (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol (CID 102264627) is (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol.
What is the SMILES notation for (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol?
The canonical SMILES for (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol is CC(C)N[C@@H]1CC=CC[C@H]1O.
What is the InChIKey of (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol?
The InChIKey is SUBGGLRTXAYISL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-8-5-3-4-6-9(8)11/h3-4,7-11H,5-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol?
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol is sourced from PubChem (CID 102264627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).