2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide

C9H18N4O2 — CID 54018286

IUPAC2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide
SMILESCN(C1CCCCC1)N(CC(N)=O)N=O
InChIInChI=1S/C9H18N4O2/c1-12(8-5-3-2-4-6-8)13(11-15)7-9(10)14/h8H,2-7H2,1H3,(H2,10,14)
InChIKeyKXDHBMQCDICSTD-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.63
Rot. Bonds5

About 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide

2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide (PubChem CID 54018286) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide
PubChem CID54018286
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide
SMILESCN(C1CCCCC1)N(CC(N)=O)N=O
InChIInChI=1S/C9H18N4O2/c1-12(8-5-3-2-4-6-8)13(11-15)7-9(10)14/h8H,2-7H2,1H3,(H2,10,14)
InChIKeyKXDHBMQCDICSTD-UHFFFAOYSA-N
XLogP0.63
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
1-cyclooctyl-1-methylurea
CID 126989312
1-(dicyclohexylamino)propan-2-one
CID 43219211
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
3-[cyclohexyl(methyl)amino]-2,2-dimethylpropanamide
CID 82040711
2-[(2-cyclohexyl-2-oxoethyl)-cyclopentylamino]acetamide
CID 104750474
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
N-cyclohexyl-N-nitrosoacetamide
CID 13464904
1-[cyclohexyl(hydroxy)amino]propan-2-one
CID 123340068

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide (CID 54018286) is 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide is CN(C1CCCCC1)N(CC(N)=O)N=O.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide?
The InChIKey is KXDHBMQCDICSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-12(8-5-3-2-4-6-8)13(11-15)7-9(10)14/h8H,2-7H2,1H3,(H2,10,14).
What are the key properties of 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide?
2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide has a molecular weight of 214.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide is sourced from PubChem (CID 54018286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).