3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol

C13H25NO — CID 111118062

IUPAC3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol
SMILESC=CCN(CCCO)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-2-9-14(10-6-11-15)12-13-7-4-3-5-8-13/h2,13,15H,1,3-12H2
InChIKeyIGMRZJYJTNNWGP-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds7

About 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol

3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol (PubChem CID 111118062) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol
PubChem CID111118062
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol
SMILESC=CCN(CCCO)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-2-9-14(10-6-11-15)12-13-7-4-3-5-8-13/h2,13,15H,1,3-12H2
InChIKeyIGMRZJYJTNNWGP-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexylmethyl)piperidine;prop-2-en-1-ol
CID 143571269
[1-[[Bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol
CID 62272035
2-[[Bis(prop-2-enyl)amino]methyl]cyclohexan-1-ol
CID 62610764
2-[(2-Methylcyclohexyl)methyl-prop-2-enylamino]ethanol
CID 104523974
2-[(3-Ethylcyclohexyl)methyl-prop-2-enylamino]ethanol
CID 104523977
2-[2-Ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
4-[Cyclohexylmethyl(prop-2-enyl)amino]butan-1-ol
CID 111118061
[3-[[Cyclohexylmethyl(prop-2-enyl)amino]methyl]oxetan-3-yl]methanol
CID 112229279
3-Ethyl-1-prop-2-enylpiperidin-4-ol
CID 114510881
2-[Cyclohexylmethyl(prop-2-enyl)amino]ethanol
CID 115631946
2-[(4-Methylcyclohexyl)-prop-2-enylamino]ethanol
CID 115883215
2-[(3-Methylcyclohexyl)-prop-2-enylamino]ethanol
CID 115883224

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol?
The IUPAC name of 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol (CID 111118062) is 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol is C=CCN(CCCO)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol?
The InChIKey is IGMRZJYJTNNWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-9-14(10-6-11-15)12-13-7-4-3-5-8-13/h2,13,15H,1,3-12H2.
What are the key properties of 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol?
3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(prop-2-enyl)amino]propan-1-ol is sourced from PubChem (CID 111118062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).