4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol

C12H23NO — CID 106133274

IUPAC4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(C)CCNCC1CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-10(2)7-8-13-9-11-3-5-12(14)6-4-11/h11-14H,1,3-9H2,2H3
InChIKeyYHFOGTYGGRZULW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds5

About 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol

4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol (PubChem CID 106133274) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
PubChem CID106133274
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(C)CCNCC1CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-10(2)7-8-13-9-11-3-5-12(14)6-4-11/h11-14H,1,3-9H2,2H3
InChIKeyYHFOGTYGGRZULW-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
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'}

Analyze 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol (CID 106133274) is 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol is C=C(C)CCNCC1CCC(O)CC1.
What is the InChIKey of 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is YHFOGTYGGRZULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)7-8-13-9-11-3-5-12(14)6-4-11/h11-14H,1,3-9H2,2H3.
What are the key properties of 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).