1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide

C12H24N2O2 — CID 106292120

IUPAC1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-3-5-11(2,16)9-14-10(15)12(8-13)6-4-7-12/h16H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyKODMTTIZWFNIRQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds6

About 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide (PubChem CID 106292120) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
PubChem CID106292120
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-3-5-11(2,16)9-14-10(15)12(8-13)6-4-7-12/h16H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyKODMTTIZWFNIRQ-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 115437980
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291037
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
CID 63863931
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 115435181
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide (CID 106292120) is 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide is CCCC(C)(O)CNC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide?
The InChIKey is KODMTTIZWFNIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-11(2,16)9-14-10(15)12(8-13)6-4-7-12/h16H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106292120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).