1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide

C15H28N2O2 — CID 115183609

IUPAC1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCC1)C1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,12-4-8-19-9-5-12)11-17-13(18)15(10-16)6-3-7-15/h12H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyXKXJYVVFLNADDB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds5

About 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide (PubChem CID 115183609) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
PubChem CID115183609
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCC1)C1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,12-4-8-19-9-5-12)11-17-13(18)15(10-16)6-3-7-15/h12H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyXKXJYVVFLNADDB-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclopropane-1-carboxamide
CID 115182500
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
CID 115194315
N-(2-cyclobutyl-2-methylpropyl)-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182505
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 106275847
1-(aminomethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 115447469
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
CID 115159157

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide (CID 115183609) is 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide is CC(C)(CNC(=O)C1(CN)CCC1)C1CCOCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide?
The InChIKey is XKXJYVVFLNADDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,12-4-8-19-9-5-12)11-17-13(18)15(10-16)6-3-7-15/h12H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide has a molecular weight of 268.40 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 1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115183609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).