N-(1-aminobutan-2-yl)cyclooctanecarboxamide

C13H26N2O — CID 65020917

IUPACN-(1-aminobutan-2-yl)cyclooctanecarboxamide
SMILESCCC(CN)NC(=O)C1CCCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-12(10-14)15-13(16)11-8-6-4-3-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyNLKVHHQBEBWQEU-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds4

About N-(1-aminobutan-2-yl)cyclooctanecarboxamide

N-(1-aminobutan-2-yl)cyclooctanecarboxamide (PubChem CID 65020917) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)cyclooctanecarboxamide
PubChem CID65020917
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-aminobutan-2-yl)cyclooctanecarboxamide
SMILESCCC(CN)NC(=O)C1CCCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-12(10-14)15-13(16)11-8-6-4-3-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyNLKVHHQBEBWQEU-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 63755182
N-hex-5-yn-3-ylcyclooctanecarboxamide
CID 115647391
N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
CID 166727828
3-(2-aminoethyl)-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62808704
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)cyclooctanecarboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)cyclooctanecarboxamide (CID 65020917) is N-(1-aminobutan-2-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)cyclooctanecarboxamide is CCC(CN)NC(=O)C1CCCCCCC1.
What is the InChIKey of N-(1-aminobutan-2-yl)cyclooctanecarboxamide?
The InChIKey is NLKVHHQBEBWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-12(10-14)15-13(16)11-8-6-4-3-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)cyclooctanecarboxamide?
N-(1-aminobutan-2-yl)cyclooctanecarboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)cyclooctanecarboxamide is sourced from PubChem (CID 65020917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).