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

C11H22N2O — CID 81172040

IUPAC1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1(N)CCC1
InChIInChI=1S/C11H22N2O/c1-9(2)5-3-8-13-10(14)11(12)6-4-7-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyPTKSOHKGIXCPRC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds5

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

1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide (PubChem CID 81172040) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
PubChem CID81172040
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1(N)CCC1
InChIInChI=1S/C11H22N2O/c1-9(2)5-3-8-13-10(14)11(12)6-4-7-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyPTKSOHKGIXCPRC-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
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

1-amino-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 81167864
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
4-methylpentyl 1-aminocyclobutane-1-carboxylate
CID 81160956
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
N-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119430611

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide (CID 81172040) is 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide is CC(C)CCCNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
The InChIKey is PTKSOHKGIXCPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)5-3-8-13-10(14)11(12)6-4-7-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide?
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81172040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).