4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide

C10H18N2O2 — CID 169021448

IUPAC4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(C(=O)NCN)CC1
InChIInChI=1S/C10H18N2O2/c1-7(13)8-2-4-9(5-3-8)10(14)12-6-11/h8-9H,2-6,11H2,1H3,(H,12,14)
InChIKeyUNDAJPDVWCYGFQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.41
Rot. Bonds3

About 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide

4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide (PubChem CID 169021448) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
PubChem CID169021448
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
SMILESCC(=O)C1CCC(C(=O)NCN)CC1
InChIInChI=1S/C10H18N2O2/c1-7(13)8-2-4-9(5-3-8)10(14)12-6-11/h8-9H,2-6,11H2,1H3,(H,12,14)
InChIKeyUNDAJPDVWCYGFQ-UHFFFAOYSA-N
XLogP0.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
4-acetyl-N-[[4-(methylaminomethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxamide
CID 169021452
1-(4-acetylcyclohexyl)-2-bromoethanone
CID 170239235
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 122579173
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide (CID 169021448) is 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide is CC(=O)C1CCC(C(=O)NCN)CC1.
What is the InChIKey of 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide?
The InChIKey is UNDAJPDVWCYGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)8-2-4-9(5-3-8)10(14)12-6-11/h8-9H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide?
4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 169021448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).