3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide

C11H22N2O — CID 115161643

IUPAC3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1CC(N)C1
InChIInChI=1S/C11H22N2O/c1-8(2)4-3-5-13-11(14)9-6-10(12)7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyWIRPJINRDVESGT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide

3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide (PubChem CID 115161643) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
PubChem CID115161643
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1CC(N)C1
InChIInChI=1S/C11H22N2O/c1-8(2)4-3-5-13-11(14)9-6-10(12)7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyWIRPJINRDVESGT-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide
CID 115151450
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106129275
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
CID 115214235
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
1-amino-3-(4-methylpentyl)urea
CID 63004667

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide (CID 115161643) is 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide is CC(C)CCCNC(=O)C1CC(N)C1.
What is the InChIKey of 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
The InChIKey is WIRPJINRDVESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)4-3-5-13-11(14)9-6-10(12)7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).