4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol

C11H21NO — CID 20707710

IUPAC4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol
SMILESC=C1CC(O)CCC1CN(C)CC
InChIInChI=1S/C11H21NO/c1-4-12(3)8-10-5-6-11(13)7-9(10)2/h10-11,13H,2,4-8H2,1,3H3
InChIKeyBKOXTHDIWCBFND-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds3

About 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol

4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol (PubChem CID 20707710) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol
PubChem CID20707710
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol
SMILESC=C1CC(O)CCC1CN(C)CC
InChIInChI=1S/C11H21NO/c1-4-12(3)8-10-5-6-11(13)7-9(10)2/h10-11,13H,2,4-8H2,1,3H3
InChIKeyBKOXTHDIWCBFND-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
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

4-[1-(Dimethylamino)ethenyl]cyclohexan-1-ol;ethane
CID 144725399
4-[(4-Prop-1-en-2-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 177966535
4-[(2-Methylidenebutylamino)methyl]cyclohexan-1-ol
CID 106133018
4-[(3-Methylbut-3-enylamino)methyl]cyclohexan-1-ol
CID 106133274
3-(1-Methylpyrrolidin-3-yl)but-3-en-1-ol
CID 117268231
3-(1-Ethylpyrrolidin-3-yl)but-3-en-1-ol
CID 117268232
3-(1-Methylpiperidin-4-yl)but-3-en-1-ol
CID 117268287
3-(1-Ethylpiperidin-4-yl)but-3-en-1-ol
CID 117268288
3-(1-Methylpiperidin-3-yl)but-3-en-1-ol
CID 117268454
3-(1-Ethylpiperidin-3-yl)but-3-en-1-ol
CID 117268455
3-(1-Propan-2-ylpiperidin-3-yl)but-3-en-1-ol
CID 117268456
4-[1-(Dimethylamino)ethenyl]cyclohexan-1-ol
CID 144725400

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol (CID 20707710) is 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol is C=C1CC(O)CCC1CN(C)CC.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol?
The InChIKey is BKOXTHDIWCBFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-12(3)8-10-5-6-11(13)7-9(10)2/h10-11,13H,2,4-8H2,1,3H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol?
4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]-3-methylidenecyclohexan-1-ol is sourced from PubChem (CID 20707710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).