[1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol

C13H25NO — CID 114472504

IUPAC[1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol
SMILESC=C(C)CCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO/c1-12(2)6-9-14-10-13(11-15)7-4-3-5-8-13/h14-15H,1,3-11H2,2H3
InChIKeyWOPSRRBRABGOOR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol

[1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol (PubChem CID 114472504) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol
PubChem CID114472504
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol
SMILESC=C(C)CCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO/c1-12(2)6-9-14-10-13(11-15)7-4-3-5-8-13/h14-15H,1,3-11H2,2H3
InChIKeyWOPSRRBRABGOOR-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol (CID 114472504) is [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol is C=C(C)CCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol?
The InChIKey is WOPSRRBRABGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)6-9-14-10-13(11-15)7-4-3-5-8-13/h14-15H,1,3-11H2,2H3.
What are the key properties of [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol?
[1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylbut-3-enylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 114472504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).