cyclopropane;diethoxymethanamine

C8H19NO2 — CID 67531002

IUPACcyclopropane;diethoxymethanamine
SMILESC1CC1.CCOC(N)OCC
InChIInChI=1S/C5H13NO2.C3H6/c1-3-7-5(6)8-4-2;1-2-3-1/h5H,3-4,6H2,1-2H3;1-3H2
InChIKeyRDCTZUYLKMNVNW-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.47
Rot. Bonds4

About cyclopropane;diethoxymethanamine

cyclopropane;diethoxymethanamine (PubChem CID 67531002) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is cyclopropane;diethoxymethanamine.

Molecular Properties

Compound Namecyclopropane;diethoxymethanamine
PubChem CID67531002
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Namecyclopropane;diethoxymethanamine
SMILESC1CC1.CCOC(N)OCC
InChIInChI=1S/C5H13NO2.C3H6/c1-3-7-5(6)8-4-2;1-2-3-1/h5H,3-4,6H2,1-2H3;1-3H2
InChIKeyRDCTZUYLKMNVNW-UHFFFAOYSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethoxymethanamine;hydrochloride
CID 175125355
cyclopropane;1,1-diethoxyethane
CID 67020569
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-cyclopentyl-2-ethoxybutan-1-amine
CID 116716463
1,1-diethoxypropan-2-ylcyclohexane
CID 14745336
1-cyclohexyl-1-ethoxy-5-methylhexan-2-amine
CID 116771942
[amino-(diethoxymethyl)-methylsilyl]cyclohexane
CID 175320910
1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
CID 107896950
1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
CID 114284903
2-ethoxypropylcyclohexane
CID 57126788
(2S)-3-ethoxybutan-2-amine
CID 64712582
1-(cyclohexylmethoxy)propan-1-amine
CID 123186405

Frequently Asked Questions

What is the IUPAC name of cyclopropane;diethoxymethanamine?
The IUPAC name of cyclopropane;diethoxymethanamine (CID 67531002) is cyclopropane;diethoxymethanamine.
What is the SMILES notation for cyclopropane;diethoxymethanamine?
The canonical SMILES for cyclopropane;diethoxymethanamine is C1CC1.CCOC(N)OCC.
What is the InChIKey of cyclopropane;diethoxymethanamine?
The InChIKey is RDCTZUYLKMNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C3H6/c1-3-7-5(6)8-4-2;1-2-3-1/h5H,3-4,6H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;diethoxymethanamine?
cyclopropane;diethoxymethanamine has a molecular weight of 161.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;diethoxymethanamine is sourced from PubChem (CID 67531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).