2-(cyclohex-3-en-1-ylamino)propan-1-ol

C9H17NO — CID 91357368

IUPAC2-(cyclohex-3-en-1-ylamino)propan-1-ol
SMILESCC(CO)NC1CC=CCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-3,8-11H,4-7H2,1H3
InChIKeyUQPZEOGFZOTEJM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

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

2-(cyclohex-3-en-1-ylamino)propan-1-ol (PubChem CID 91357368) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylamino)propan-1-ol
PubChem CID91357368
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(cyclohex-3-en-1-ylamino)propan-1-ol
SMILESCC(CO)NC1CC=CCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-3,8-11H,4-7H2,1H3
InChIKeyUQPZEOGFZOTEJM-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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 2-(cyclohex-3-en-1-ylamino)propan-1-ol?
The IUPAC name of 2-(cyclohex-3-en-1-ylamino)propan-1-ol (CID 91357368) is 2-(cyclohex-3-en-1-ylamino)propan-1-ol.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylamino)propan-1-ol?
The canonical SMILES for 2-(cyclohex-3-en-1-ylamino)propan-1-ol is CC(CO)NC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylamino)propan-1-ol?
The InChIKey is UQPZEOGFZOTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11)10-9-5-3-2-4-6-9/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 2-(cyclohex-3-en-1-ylamino)propan-1-ol?
2-(cyclohex-3-en-1-ylamino)propan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylamino)propan-1-ol is sourced from PubChem (CID 91357368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).