1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride

C13H27ClN2O3 — CID 119262683

IUPAC1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCN(CCOC)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-17-10-8-15(9-11-18-2)12(16)13(14)6-4-3-5-7-13;/h3-11,14H2,1-2H3;1H
InChIKeyZHLBJJLYHUKRDK-UHFFFAOYSA-N
MW294.82 g/mol
LogP1.19
Rot. Bonds7

About 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119262683) has the molecular formula C13H27ClN2O3 and a molecular weight of 294.82 g/mol. Its IUPAC name is 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119262683
Molecular FormulaC13H27ClN2O3
Molecular Weight294.82 g/mol
Exact Mass294.17
IUPAC Name1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOCCN(CCOC)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-17-10-8-15(9-11-18-2)12(16)13(14)6-4-3-5-7-13;/h3-11,14H2,1-2H3;1H
InChIKeyZHLBJJLYHUKRDK-UHFFFAOYSA-N
XLogP1.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 63286552
1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
4-amino-N-ethyl-N-(2-methoxyethyl)oxane-4-carboxamide
CID 115294699
1-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921125
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 54872120
1-amino-N,N-dipropylcyclobutane-1-carboxamide
CID 81167159
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)cycloheptane-1-carboxamide
CID 104861721
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
N,N-bis(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63130592
1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 60953140

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119262683) is 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride is COCCN(CCOC)C(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZHLBJJLYHUKRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3.ClH/c1-17-10-8-15(9-11-18-2)12(16)13(14)6-4-3-5-7-13;/h3-11,14H2,1-2H3;1H.
What are the key properties of 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 294.82 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119262683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).