2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene

C19H36N2O — CID 143224253

IUPAC2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene
SMILESCC(C)CC1CC=CCC1.CN(CC(N)=O)C1CCCCC1
InChIInChI=1S/C10H18.C9H18N2O/c1-9(2)8-10-6-4-3-5-7-10;1-11(7-9(10)12)8-5-3-2-4-6-8/h3-4,9-10H,5-8H2,1-2H3;8H,2-7H2,1H3,(H2,10,12)
InChIKeyKPWAWFAPPDTTLT-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.12
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene

2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene (PubChem CID 143224253) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene
PubChem CID143224253
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene
SMILESCC(C)CC1CC=CCC1.CN(CC(N)=O)C1CCCCC1
InChIInChI=1S/C10H18.C9H18N2O/c1-9(2)8-10-6-4-3-5-7-10;1-11(7-9(10)12)8-5-3-2-4-6-8/h3-4,9-10H,5-8H2,1-2H3;8H,2-7H2,1H3,(H2,10,12)
InChIKeyKPWAWFAPPDTTLT-UHFFFAOYSA-N
XLogP4.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
bis(3-cyclohex-3-en-1-yl-2-methylpropyl) carbonate
CID 175234244
2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
CID 126787710
6-(2-methylpropyl)cyclonona-1,3-diene
CID 91468829
1-[cyclopentyl(methyl)amino]-3-methylbutan-2-one
CID 79395457
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
3-[cyclohexyl(methyl)amino]-2,2-dimethylpropanamide
CID 82040711
cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115883971

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene?
The IUPAC name of 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene (CID 143224253) is 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene is CC(C)CC1CC=CCC1.CN(CC(N)=O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene?
The InChIKey is KPWAWFAPPDTTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C9H18N2O/c1-9(2)8-10-6-4-3-5-7-10;1-11(7-9(10)12)8-5-3-2-4-6-8/h3-4,9-10H,5-8H2,1-2H3;8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene?
2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene has a molecular weight of 308.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]acetamide;4-(2-methylpropyl)cyclohexene is sourced from PubChem (CID 143224253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).