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

C10H19NO2 — CID 10888651

IUPAC[(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
SMILESCO/C=C1\CCCC(CN)(CO)C1
InChIInChI=1S/C10H19NO2/c1-13-6-9-3-2-4-10(5-9,7-11)8-12/h6,12H,2-5,7-8,11H2,1H3/b9-6+
InChIKeyVMYFZNFMNMZUOJ-RMKNXTFCSA-N
MW185.27 g/mol
LogP1.03
Rot. Bonds3

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

[(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol (PubChem CID 10888651) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol.

Molecular Properties

Compound Name[(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
PubChem CID10888651
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
SMILESCO/C=C1\CCCC(CN)(CO)C1
InChIInChI=1S/C10H19NO2/c1-13-6-9-3-2-4-10(5-9,7-11)8-12/h6,12H,2-5,7-8,11H2,1H3/b9-6+
InChIKeyVMYFZNFMNMZUOJ-RMKNXTFCSA-N
XLogP1.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.03
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-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 10987615
[(3Z)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 133629845
3-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylpropan-1-amine
CID 165626250
4-(aminomethyl)-4-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-ol
CID 165696014
3-amino-2-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-ol
CID 165714408

Frequently Asked Questions

What is the IUPAC name of [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
The IUPAC name of [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol (CID 10888651) is [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol.
What is the SMILES notation for [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
The canonical SMILES for [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol is CO/C=C1\CCCC(CN)(CO)C1.
What is the InChIKey of [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
The InChIKey is VMYFZNFMNMZUOJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-6-9-3-2-4-10(5-9,7-11)8-12/h6,12H,2-5,7-8,11H2,1H3/b9-6+.
What are the key properties of [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol?
[(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol has a molecular weight of 185.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-1-(aminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol is sourced from PubChem (CID 10888651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).