[2-(3-methylbut-3-enylamino)cyclohexyl]methanol

C12H23NO — CID 104934461

IUPAC[2-(3-methylbut-3-enylamino)cyclohexyl]methanol
SMILESC=C(C)CCNC1CCCCC1CO
InChIInChI=1S/C12H23NO/c1-10(2)7-8-13-12-6-4-3-5-11(12)9-14/h11-14H,1,3-9H2,2H3
InChIKeyJFVYGHYECWXLQL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds5

About [2-(3-methylbut-3-enylamino)cyclohexyl]methanol

[2-(3-methylbut-3-enylamino)cyclohexyl]methanol (PubChem CID 104934461) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [2-(3-methylbut-3-enylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(3-methylbut-3-enylamino)cyclohexyl]methanol
PubChem CID104934461
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[2-(3-methylbut-3-enylamino)cyclohexyl]methanol
SMILESC=C(C)CCNC1CCCCC1CO
InChIInChI=1S/C12H23NO/c1-10(2)7-8-13-12-6-4-3-5-11(12)9-14/h11-14H,1,3-9H2,2H3
InChIKeyJFVYGHYECWXLQL-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbut-3-enylamino)cyclohexyl]methanol?
The IUPAC name of [2-(3-methylbut-3-enylamino)cyclohexyl]methanol (CID 104934461) is [2-(3-methylbut-3-enylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(3-methylbut-3-enylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(3-methylbut-3-enylamino)cyclohexyl]methanol is C=C(C)CCNC1CCCCC1CO.
What is the InChIKey of [2-(3-methylbut-3-enylamino)cyclohexyl]methanol?
The InChIKey is JFVYGHYECWXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)7-8-13-12-6-4-3-5-11(12)9-14/h11-14H,1,3-9H2,2H3.
What are the key properties of [2-(3-methylbut-3-enylamino)cyclohexyl]methanol?
[2-(3-methylbut-3-enylamino)cyclohexyl]methanol 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 [2-(3-methylbut-3-enylamino)cyclohexyl]methanol is sourced from PubChem (CID 104934461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).