3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol

C13H25NO — CID 75499520

IUPAC3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol
SMILESC=C(C)CNC(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)10-14-13(8-9-15)12-6-4-3-5-7-12/h12-15H,1,3-10H2,2H3
InChIKeyMCGJSTVFRAZEFX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol

3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol (PubChem CID 75499520) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol
PubChem CID75499520
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol
SMILESC=C(C)CNC(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)10-14-13(8-9-15)12-6-4-3-5-7-12/h12-15H,1,3-10H2,2H3
InChIKeyMCGJSTVFRAZEFX-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol?
The IUPAC name of 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol (CID 75499520) is 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol is C=C(C)CNC(CCO)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol?
The InChIKey is MCGJSTVFRAZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)10-14-13(8-9-15)12-6-4-3-5-7-12/h12-15H,1,3-10H2,2H3.
What are the key properties of 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol?
3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol 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 3-cyclohexyl-3-(2-methylprop-2-enylamino)propan-1-ol is sourced from PubChem (CID 75499520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).