3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide

C15H30N2O3 — CID 82959930

IUPAC3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H30N2O3/c1-3-19-10-8-17(9-11-20-4-2)15(18)13-6-5-7-14(16)12-13/h13-14H,3-12,16H2,1-2H3
InChIKeyZRRQYXRQKKKVCX-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.41
Rot. Bonds9

About 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide

3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide (PubChem CID 82959930) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
PubChem CID82959930
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
SMILESCCOCCN(CCOCC)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H30N2O3/c1-3-19-10-8-17(9-11-20-4-2)15(18)13-6-5-7-14(16)12-13/h13-14H,3-12,16H2,1-2H3
InChIKeyZRRQYXRQKKKVCX-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
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-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82960257
3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237345
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
N-(2-ethoxyethyl)-N-ethylcyclopropanecarboxamide
CID 63717858
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
CID 63046601
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide (CID 82959930) is 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide is CCOCCN(CCOCC)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is ZRRQYXRQKKKVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-19-10-8-17(9-11-20-4-2)15(18)13-6-5-7-14(16)12-13/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide?
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82959930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).