2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide

C13H26N2O — CID 64678530

IUPAC2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)10-15-12(16)9-13(14)7-5-4-6-8-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyHWZCFVQUVWEZFY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide

2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide (PubChem CID 64678530) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
PubChem CID64678530
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)10-15-12(16)9-13(14)7-5-4-6-8-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyHWZCFVQUVWEZFY-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

2-(1-aminocyclobutyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 79854232
2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113492226
2-(1-aminocyclohexyl)-N-(2-methylpentan-3-yl)acetamide
CID 64678828
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methoxypropanoic acid
CID 106108885
2-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
CID 79853724
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
CID 79854632
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate
CID 107222781
2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 106255433
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide (CID 64678530) is 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide is CCC(C)CNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide?
The InChIKey is HWZCFVQUVWEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(2)10-15-12(16)9-13(14)7-5-4-6-8-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide?
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide 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 2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide is sourced from PubChem (CID 64678530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).