[1-[(prop-2-enylamino)methyl]cyclohexyl]methanol

C11H21NO — CID 81412181

IUPAC[1-[(prop-2-enylamino)methyl]cyclohexyl]methanol
SMILESC=CCNCC1(CO)CCCCC1
InChIInChI=1S/C11H21NO/c1-2-8-12-9-11(10-13)6-4-3-5-7-11/h2,12-13H,1,3-10H2
InChIKeyGGBDYTUSXHXJDV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds5

About [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol

[1-[(prop-2-enylamino)methyl]cyclohexyl]methanol (PubChem CID 81412181) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(prop-2-enylamino)methyl]cyclohexyl]methanol
PubChem CID81412181
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[1-[(prop-2-enylamino)methyl]cyclohexyl]methanol
SMILESC=CCNCC1(CO)CCCCC1
InChIInChI=1S/C11H21NO/c1-2-8-12-9-11(10-13)6-4-3-5-7-11/h2,12-13H,1,3-10H2
InChIKeyGGBDYTUSXHXJDV-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 [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol (CID 81412181) is [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol is C=CCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol?
The InChIKey is GGBDYTUSXHXJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-8-12-9-11(10-13)6-4-3-5-7-11/h2,12-13H,1,3-10H2.
What are the key properties of [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol?
[1-[(prop-2-enylamino)methyl]cyclohexyl]methanol 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 [1-[(prop-2-enylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).