4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide

C11H22N2O3 — CID 61274922

IUPAC4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1CCC(N)CC1)OC
InChIInChI=1S/C11H22N2O3/c1-15-10(16-2)7-13-11(14)8-3-5-9(12)6-4-8/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyPJLMZNONFXZNTF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.24
Rot. Bonds5

About 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide

4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide (PubChem CID 61274922) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
PubChem CID61274922
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
SMILESCOC(CNC(=O)C1CCC(N)CC1)OC
InChIInChI=1S/C11H22N2O3/c1-15-10(16-2)7-13-11(14)8-3-5-9(12)6-4-8/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyPJLMZNONFXZNTF-UHFFFAOYSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
CID 114100069
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 66092057
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
ethane;methyl 4-[[(4-aminocyclohexanecarbonyl)amino]methyl]benzoate
CID 145465923
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide (CID 61274922) is 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide is COC(CNC(=O)C1CCC(N)CC1)OC.
What is the InChIKey of 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is PJLMZNONFXZNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-10(16-2)7-13-11(14)8-3-5-9(12)6-4-8/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide?
4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61274922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).