amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid

C10H19N3O3 — CID 135146122

IUPACamino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid
SMILESCN(C)C(=O)C1CCC(N(N)C(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-12(2)9(14)7-3-5-8(6-4-7)13(11)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyRXJCPLKYMYWTLE-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.49
Rot. Bonds2

About amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid

amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid (PubChem CID 135146122) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Nameamino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid
PubChem CID135146122
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameamino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid
SMILESCN(C)C(=O)C1CCC(N(N)C(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-12(2)9(14)7-3-5-8(6-4-7)13(11)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyRXJCPLKYMYWTLE-UHFFFAOYSA-N
XLogP0.49
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino-(4-aminocyclohexyl)carbamic acid
CID 151916976
N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 12518171
4-[formyl(methyl)amino]-N,N-dimethylcycloheptane-1-carboxamide
CID 142585991
(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 170648409
3-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 83618379
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
N-(2-aminoethyl)-N-cyclopropylcyclopropanecarboxamide
CID 61350147
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
CID 87114483
4-(2-hydroxyethoxy)-N,N-dimethylcyclohexane-1-carboxamide
CID 66730434
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
N,N,6-trimethylpiperidine-3-carboxamide
CID 24697957

Frequently Asked Questions

What is the IUPAC name of amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid?
The IUPAC name of amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid (CID 135146122) is amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid.
What is the SMILES notation for amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid?
The canonical SMILES for amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid is CN(C)C(=O)C1CCC(N(N)C(=O)O)CC1.
What is the InChIKey of amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid?
The InChIKey is RXJCPLKYMYWTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12(2)9(14)7-3-5-8(6-4-7)13(11)10(15)16/h7-8H,3-6,11H2,1-2H3,(H,15,16).
What are the key properties of amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid?
amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid has a molecular weight of 229.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(dimethylcarbamoyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 135146122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).