2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide

C14H26N2O2 — CID 79854939

IUPAC2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESNC1(CC(=O)NCC2CCCCC2CO)CCC1
InChIInChI=1S/C14H26N2O2/c15-14(6-3-7-14)8-13(18)16-9-11-4-1-2-5-12(11)10-17/h11-12,17H,1-10,15H2,(H,16,18)
InChIKeyNJSBQYSFOXASMN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.17
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 79854939) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID79854939
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESNC1(CC(=O)NCC2CCCCC2CO)CCC1
InChIInChI=1S/C14H26N2O2/c15-14(6-3-7-14)8-13(18)16-9-11-4-1-2-5-12(11)10-17/h11-12,17H,1-10,15H2,(H,16,18)
InChIKeyNJSBQYSFOXASMN-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(cyclopropylmethyl)acetamide
CID 64685708
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
CID 113311729
2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
CID 113487601
2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide
CID 80584404
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-[[2-(1-aminocyclobutyl)acetyl]amino]acetic acid
CID 79854186
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
2-(1-aminocyclohexyl)-N-(2-cyclohexylethyl)acetamide
CID 64683670
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 79191808
2-(1-aminocyclohexyl)-N-(2-amino-2-oxoethyl)acetamide
CID 64684917
N-[[2-(hydroxymethyl)cyclohexyl]methyl]but-2-enamide
CID 77104592
2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103255271

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 79854939) is 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide is NC1(CC(=O)NCC2CCCCC2CO)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is NJSBQYSFOXASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-14(6-3-7-14)8-13(18)16-9-11-4-1-2-5-12(11)10-17/h11-12,17H,1-10,15H2,(H,16,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 79854939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).