1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

C13H26ClN3O2 — CID 119272923

IUPAC1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-12(2,3)16-10(17)9-15-11(18)13(14)7-5-4-6-8-13;/h4-9,14H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyPAQHTQSTUDLVBT-UHFFFAOYSA-N
MW291.82 g/mol
LogP1.10
Rot. Bonds3

About 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119272923) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119272923
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-12(2,3)16-10(17)9-15-11(18)13(14)7-5-4-6-8-13;/h4-9,14H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyPAQHTQSTUDLVBT-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64684379
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CID 81179179
1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119277157
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
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CID 119830623
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 11194684
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119272923) is 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)(C)NC(=O)CNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PAQHTQSTUDLVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-12(2,3)16-10(17)9-15-11(18)13(14)7-5-4-6-8-13;/h4-9,14H2,1-3H3,(H,15,18)(H,16,17);1H.
What are the key properties of 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119272923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).