4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide

C15H28N2O2 — CID 78977172

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide
SMILESCC(C)CCN(C(=O)C1(CN)CCOCC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-8-17(13-3-4-13)14(18)15(11-16)6-9-19-10-7-15/h12-13H,3-11,16H2,1-2H3
InChIKeyRKAAFIXDWMEABG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide

4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide (PubChem CID 78977172) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide
PubChem CID78977172
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide
SMILESCC(C)CCN(C(=O)C1(CN)CCOCC1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)5-8-17(13-3-4-13)14(18)15(11-16)6-9-19-10-7-15/h12-13H,3-11,16H2,1-2H3
InChIKeyRKAAFIXDWMEABG-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide (CID 78977172) is 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide is CC(C)CCN(C(=O)C1(CN)CCOCC1)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide?
The InChIKey is RKAAFIXDWMEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)5-8-17(13-3-4-13)14(18)15(11-16)6-9-19-10-7-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide?
4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 78977172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).