4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine

C13H26N2O — CID 63878563

IUPAC4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine
SMILESCCNC1CCOCC1N(C)CC1CC1C
InChIInChI=1S/C13H26N2O/c1-4-14-12-5-6-16-9-13(12)15(3)8-11-7-10(11)2/h10-14H,4-9H2,1-3H3
InChIKeyMEEWVAUHANCALE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds5

About 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine

4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine (PubChem CID 63878563) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine
PubChem CID63878563
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine
SMILESCCNC1CCOCC1N(C)CC1CC1C
InChIInChI=1S/C13H26N2O/c1-4-14-12-5-6-16-9-13(12)15(3)8-11-7-10(11)2/h10-14H,4-9H2,1-3H3
InChIKeyMEEWVAUHANCALE-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine?
The IUPAC name of 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine (CID 63878563) is 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine?
The canonical SMILES for 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine is CCNC1CCOCC1N(C)CC1CC1C.
What is the InChIKey of 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine?
The InChIKey is MEEWVAUHANCALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14-12-5-6-16-9-13(12)15(3)8-11-7-10(11)2/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine?
4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine is sourced from PubChem (CID 63878563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).