[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol

C12H23NO2 — CID 10987615

IUPAC[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
SMILESCCNCC1(CO)CCC/C(=C\OC)C1
InChIInChI=1S/C12H23NO2/c1-3-13-9-12(10-14)6-4-5-11(7-12)8-15-2/h8,13-14H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyWUYXMHIYPMYPKN-DHZHZOJOSA-N
MW213.32 g/mol
LogP1.68
Rot. Bonds5

About [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol

[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol (PubChem CID 10987615) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol.

Molecular Properties

Compound Name[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
PubChem CID10987615
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
SMILESCCNCC1(CO)CCC/C(=C\OC)C1
InChIInChI=1S/C12H23NO2/c1-3-13-9-12(10-14)6-4-5-11(7-12)8-15-2/h8,13-14H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyWUYXMHIYPMYPKN-DHZHZOJOSA-N
XLogP1.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 10888651
[1-[(3-Ethenoxypropylamino)methyl]cyclohexyl]methanol
CID 81412633
[1-[(But-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[(2-Methylprop-2-enylamino)methyl]cyclohexyl]methanol
CID 103966373
[1-[(Pent-4-enylamino)methyl]cyclohexyl]methanol
CID 103966412
[1-[(2-Methylidenebutylamino)methyl]cyclohexyl]methanol
CID 103966428
[1-[(Hex-5-en-2-ylamino)methyl]cyclohexyl]methanol
CID 104583350
[1-[[2-(Cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106168982
[1-[(3-Methylbut-2-enylamino)methyl]cyclohexyl]methanol
CID 106547275
[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol
CID 113359587
[1-[(Hept-6-enylamino)methyl]cyclohexyl]methanol
CID 113904246
[1-[(3-Methylbut-3-enylamino)methyl]cyclohexyl]methanol
CID 114472504

Frequently Asked Questions

What is the IUPAC name of [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
The IUPAC name of [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol (CID 10987615) is [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol.
What is the SMILES notation for [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
The canonical SMILES for [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol is CCNCC1(CO)CCC/C(=C\OC)C1.
What is the InChIKey of [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
The InChIKey is WUYXMHIYPMYPKN-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13-9-12(10-14)6-4-5-11(7-12)8-15-2/h8,13-14H,3-7,9-10H2,1-2H3/b11-8+.
What are the key properties of [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol is sourced from PubChem (CID 10987615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).