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

C13H25NO — CID 114472358

IUPAC4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(C)CCNCC1(O)CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-11(2)6-9-14-10-13(15)7-4-12(3)5-8-13/h12,14-15H,1,4-10H2,2-3H3
InChIKeyQFOOEADSATXZEN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds5

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

4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol (PubChem CID 114472358) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
PubChem CID114472358
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(C)CCNCC1(O)CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-11(2)6-9-14-10-13(15)7-4-12(3)5-8-13/h12,14-15H,1,4-10H2,2-3H3
InChIKeyQFOOEADSATXZEN-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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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Related Compounds

4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
CID 65120996
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
CID 79040662
1-[[[(E)-but-2-enyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 107899031
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 114223847
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol (CID 114472358) is 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol is C=C(C)CCNCC1(O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is QFOOEADSATXZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-9-14-10-13(15)7-4-12(3)5-8-13/h12,14-15H,1,4-10H2,2-3H3.
What are the key properties of 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 114472358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).