2-[(but-3-enylamino)methyl]cyclohexan-1-ol

C11H21NO — CID 64913253

IUPAC2-[(but-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCNCC1CCCCC1O
InChIInChI=1S/C11H21NO/c1-2-3-8-12-9-10-6-4-5-7-11(10)13/h2,10-13H,1,3-9H2
InChIKeyOYSKDHMFBXOOIL-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds5

About 2-[(but-3-enylamino)methyl]cyclohexan-1-ol

2-[(but-3-enylamino)methyl]cyclohexan-1-ol (PubChem CID 64913253) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(but-3-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(but-3-enylamino)methyl]cyclohexan-1-ol
PubChem CID64913253
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(but-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCNCC1CCCCC1O
InChIInChI=1S/C11H21NO/c1-2-3-8-12-9-10-6-4-5-7-11(10)13/h2,10-13H,1,3-9H2
InChIKeyOYSKDHMFBXOOIL-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
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 2-[(but-3-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(but-3-enylamino)methyl]cyclohexan-1-ol (CID 64913253) is 2-[(but-3-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(but-3-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(but-3-enylamino)methyl]cyclohexan-1-ol is C=CCCNCC1CCCCC1O.
What is the InChIKey of 2-[(but-3-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is OYSKDHMFBXOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-8-12-9-10-6-4-5-7-11(10)13/h2,10-13H,1,3-9H2.
What are the key properties of 2-[(but-3-enylamino)methyl]cyclohexan-1-ol?
2-[(but-3-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(but-3-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64913253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).