N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide

C10H18N2O — CID 174353309

IUPACN-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCCCC1(C)N
InChIInChI=1S/C10H18N2O/c1-8(13)12-7-9-5-3-4-6-10(9,2)11/h5H,3-4,6-7,11H2,1-2H3,(H,12,13)
InChIKeyVSPNTJSQFYHPGA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.95
Rot. Bonds2

About N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide

N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide (PubChem CID 174353309) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide
PubChem CID174353309
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CCCCC1(C)N
InChIInChI=1S/C10H18N2O/c1-8(13)12-7-9-5-3-4-6-10(9,2)11/h5H,3-4,6-7,11H2,1-2H3,(H,12,13)
InChIKeyVSPNTJSQFYHPGA-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(iodomethyl)cyclohex-2-ene-1,1-dicarboxylate
CID 15419397
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
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N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125023356
N-[(2-bromophenyl)methyl]acetamide
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N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide
CID 82018027
N-[(3-chlorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89017374
N-[(3-bromo-4-methylcyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 163375666
N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide
CID 154657038
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
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CID 119277261

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide?
The IUPAC name of N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide (CID 174353309) is N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide is CC(=O)NCC1=CCCCC1(C)N.
What is the InChIKey of N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide?
The InChIKey is VSPNTJSQFYHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)12-7-9-5-3-4-6-10(9,2)11/h5H,3-4,6-7,11H2,1-2H3,(H,12,13).
What are the key properties of N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide?
N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-6-methylcyclohexen-1-yl)methyl]acetamide is sourced from PubChem (CID 174353309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).