2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

C14H24N4O2 — CID 104844432

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1noc(CCNC(=O)CC2(CN)CCCCC2)n1
InChIInChI=1S/C14H24N4O2/c1-11-17-13(20-18-11)5-8-16-12(19)9-14(10-15)6-3-2-4-7-14/h2-10,15H2,1H3,(H,16,19)
InChIKeyVNVXZHXFNNSARL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.34
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 104844432) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID104844432
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1noc(CCNC(=O)CC2(CN)CCCCC2)n1
InChIInChI=1S/C14H24N4O2/c1-11-17-13(20-18-11)5-8-16-12(19)9-14(10-15)6-3-2-4-7-14/h2-10,15H2,1H3,(H,16,19)
InChIKeyVNVXZHXFNNSARL-UHFFFAOYSA-N
XLogP1.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027204
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
3-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106416458
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 104844432) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is Cc1noc(CCNC(=O)CC2(CN)CCCCC2)n1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is VNVXZHXFNNSARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-17-13(20-18-11)5-8-16-12(19)9-14(10-15)6-3-2-4-7-14/h2-10,15H2,1H3,(H,16,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 104844432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).