3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol

C10H19NO — CID 28715660

IUPAC3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol
SMILESOCCCNC[C@H]1CC=CCC1
InChIInChI=1S/C10H19NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-2,10-12H,3-9H2/t10-/m0/s1
InChIKeyWOKXBGQNSUKGAI-JTQLQIEISA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds5

About 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol

3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol (PubChem CID 28715660) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol
PubChem CID28715660
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol
SMILESOCCCNC[C@H]1CC=CCC1
InChIInChI=1S/C10H19NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-2,10-12H,3-9H2/t10-/m0/s1
InChIKeyWOKXBGQNSUKGAI-JTQLQIEISA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol (CID 28715660) is 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol is OCCCNC[C@H]1CC=CCC1.
What is the InChIKey of 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol?
The InChIKey is WOKXBGQNSUKGAI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-2,10-12H,3-9H2/t10-/m0/s1.
What are the key properties of 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol?
3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-cyclohex-3-en-1-yl]methylamino]propan-1-ol is sourced from PubChem (CID 28715660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).