methyl N-(cyclohexylmethylcarbamoyl)carbamimidate

C10H19N3O2 — CID 173453420

IUPACmethyl N-(cyclohexylmethylcarbamoyl)carbamimidate
SMILES[H]/N=C(/NC(=O)NCC1CCCCC1)OC
InChIInChI=1S/C10H19N3O2/c1-15-9(11)13-10(14)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeyBFAFXOHTICPYLO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.45
Rot. Bonds2

About methyl N-(cyclohexylmethylcarbamoyl)carbamimidate

methyl N-(cyclohexylmethylcarbamoyl)carbamimidate (PubChem CID 173453420) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl N-(cyclohexylmethylcarbamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N-(cyclohexylmethylcarbamoyl)carbamimidate
PubChem CID173453420
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Namemethyl N-(cyclohexylmethylcarbamoyl)carbamimidate
SMILES[H]/N=C(/NC(=O)NCC1CCCCC1)OC
InChIInChI=1S/C10H19N3O2/c1-15-9(11)13-10(14)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeyBFAFXOHTICPYLO-UHFFFAOYSA-N
XLogP1.45
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexylmethyl)-3-methylurea
CID 10942882
1-(Cyclohexylmethyl)-3-propylurea
CID 19071316
methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate
CID 21442048
methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate
CID 21442298
methyl N-[(4-butylcyclohexyl)carbamoyl]-N-(methylcarbamoyl)carbamimidate
CID 21442372
N-(cyclohexylmethyl)(ethylamino)carboxamide
CID 43835934
methyl N-[[cyclohexylmethylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamate
CID 53667808
methyl N'-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate
CID 53759608
methyl N-[(4-butylcyclohexyl)carbamoyl]-N'-(methylcarbamoyl)carbamimidate
CID 54417929
1-Butyl-3-(cyclohexylmethyl)urea
CID 58862991
methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate
CID 70632489
1-(Cyclohexylmethyl)-3-methylurea;ethane
CID 143985517

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclohexylmethylcarbamoyl)carbamimidate?
The IUPAC name of methyl N-(cyclohexylmethylcarbamoyl)carbamimidate (CID 173453420) is methyl N-(cyclohexylmethylcarbamoyl)carbamimidate.
What is the SMILES notation for methyl N-(cyclohexylmethylcarbamoyl)carbamimidate?
The canonical SMILES for methyl N-(cyclohexylmethylcarbamoyl)carbamimidate is [H]/N=C(/NC(=O)NCC1CCCCC1)OC.
What is the InChIKey of methyl N-(cyclohexylmethylcarbamoyl)carbamimidate?
The InChIKey is BFAFXOHTICPYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-15-9(11)13-10(14)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,11,12,13,14).
What are the key properties of methyl N-(cyclohexylmethylcarbamoyl)carbamimidate?
methyl N-(cyclohexylmethylcarbamoyl)carbamimidate has a molecular weight of 213.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclohexylmethylcarbamoyl)carbamimidate is sourced from PubChem (CID 173453420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).