4-(but-3-en-2-ylamino)cyclohexan-1-ol

C10H19NO — CID 106595161

IUPAC4-(but-3-en-2-ylamino)cyclohexan-1-ol
SMILESC=CC(C)NC1CCC(O)CC1
InChIInChI=1S/C10H19NO/c1-3-8(2)11-9-4-6-10(12)7-5-9/h3,8-12H,1,4-7H2,2H3
InChIKeyUPYCXMDVIOYTEF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.45
Rot. Bonds3

About 4-(but-3-en-2-ylamino)cyclohexan-1-ol

4-(but-3-en-2-ylamino)cyclohexan-1-ol (PubChem CID 106595161) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(but-3-en-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(but-3-en-2-ylamino)cyclohexan-1-ol
PubChem CID106595161
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(but-3-en-2-ylamino)cyclohexan-1-ol
SMILESC=CC(C)NC1CCC(O)CC1
InChIInChI=1S/C10H19NO/c1-3-8(2)11-9-4-6-10(12)7-5-9/h3,8-12H,1,4-7H2,2H3
InChIKeyUPYCXMDVIOYTEF-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.45
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 4-(but-3-en-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(but-3-en-2-ylamino)cyclohexan-1-ol (CID 106595161) is 4-(but-3-en-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(but-3-en-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(but-3-en-2-ylamino)cyclohexan-1-ol is C=CC(C)NC1CCC(O)CC1.
What is the InChIKey of 4-(but-3-en-2-ylamino)cyclohexan-1-ol?
The InChIKey is UPYCXMDVIOYTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(2)11-9-4-6-10(12)7-5-9/h3,8-12H,1,4-7H2,2H3.
What are the key properties of 4-(but-3-en-2-ylamino)cyclohexan-1-ol?
4-(but-3-en-2-ylamino)cyclohexan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-en-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 106595161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).