1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

C13H23N3O2 — CID 63286552

IUPAC1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCN(CCC#N)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H23N3O2/c1-18-11-10-16(9-5-8-14)12(17)13(15)6-3-2-4-7-13/h2-7,9-11,15H2,1H3
InChIKeyCAQPLKHOOGLPEH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.04
Rot. Bonds6

About 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (PubChem CID 63286552) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
PubChem CID63286552
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCN(CCC#N)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H23N3O2/c1-18-11-10-16(9-5-8-14)12(17)13(15)6-3-2-4-7-13/h2-7,9-11,15H2,1H3
InChIKeyCAQPLKHOOGLPEH-UHFFFAOYSA-N
XLogP1.04
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262683
1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 54873665
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63286611
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63285133
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
cis-(1R,3S)-3-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114092315
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81088238
N-(2-cyanoethyl)-N-(2-methoxyethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79884629

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (CID 63286552) is 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is COCCN(CCC#N)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is CAQPLKHOOGLPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-18-11-10-16(9-5-8-14)12(17)13(15)6-3-2-4-7-13/h2-7,9-11,15H2,1H3.
What are the key properties of 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63286552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).