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

C13H26N2O — CID 114458426

IUPACN-(1-aminobutan-2-yl)-2-cycloheptylacetamide
SMILESCCC(CN)NC(=O)CC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-12(10-14)15-13(16)9-11-7-5-3-4-6-8-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyXTBOCCJSYCYFPL-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds5

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

N-(1-aminobutan-2-yl)-2-cycloheptylacetamide (PubChem CID 114458426) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-cycloheptylacetamide
PubChem CID114458426
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-aminobutan-2-yl)-2-cycloheptylacetamide
SMILESCCC(CN)NC(=O)CC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-12(10-14)15-13(16)9-11-7-5-3-4-6-8-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyXTBOCCJSYCYFPL-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-(1-aminobutan-2-yl)-2-cyclopropylacetamide
CID 63755358
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119665633
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
3-(aminomethyl)-1-cyclohexylpentan-2-one
CID 116575171
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-cycloheptylacetamide (CID 114458426) is N-(1-aminobutan-2-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-cycloheptylacetamide is CCC(CN)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-cycloheptylacetamide?
The InChIKey is XTBOCCJSYCYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-12(10-14)15-13(16)9-11-7-5-3-4-6-8-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-cycloheptylacetamide?
N-(1-aminobutan-2-yl)-2-cycloheptylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 5 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)-2-cycloheptylacetamide is sourced from PubChem (CID 114458426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).