2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate

C11H21N3O3 — CID 83215209

IUPAC2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
SMILESCC1CC(C(=O)NCCOC(N)=O)CCC1N
InChIInChI=1S/C11H21N3O3/c1-7-6-8(2-3-9(7)12)10(15)14-4-5-17-11(13)16/h7-9H,2-6,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyPBJWCKPCEVUDME-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.04
Rot. Bonds4

About 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate

2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate (PubChem CID 83215209) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
PubChem CID83215209
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
SMILESCC1CC(C(=O)NCCOC(N)=O)CCC1N
InChIInChI=1S/C11H21N3O3/c1-7-6-8(2-3-9(7)12)10(15)14-4-5-17-11(13)16/h7-9H,2-6,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyPBJWCKPCEVUDME-UHFFFAOYSA-N
XLogP-0.04
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63231231
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782835
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate (CID 83215209) is 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate is CC1CC(C(=O)NCCOC(N)=O)CCC1N.
What is the InChIKey of 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate?
The InChIKey is PBJWCKPCEVUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7-6-8(2-3-9(7)12)10(15)14-4-5-17-11(13)16/h7-9H,2-6,12H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate?
2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83215209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).