1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119735692

IUPAC1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1(NC(=O)CNCC2CC2)CCCCC1
InChIInChI=1S/C13H23N3O2.ClH/c14-12(18)13(6-2-1-3-7-13)16-11(17)9-15-8-10-4-5-10;/h10,15H,1-9H2,(H2,14,18)(H,16,17);1H
InChIKeyOBRLEIOPPVWTAY-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.71
Rot. Bonds6

About 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride

1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119735692) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119735692
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1(NC(=O)CNCC2CC2)CCCCC1
InChIInChI=1S/C13H23N3O2.ClH/c14-12(18)13(6-2-1-3-7-13)16-11(17)9-15-8-10-4-5-10;/h10,15H,1-9H2,(H2,14,18)(H,16,17);1H
InChIKeyOBRLEIOPPVWTAY-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735686
1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 119735695
1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
CID 119296087
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
1-[(2-chloroacetyl)amino]cyclopentane-1-carboxamide
CID 130608806
1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088294
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176
1-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735680
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride (CID 119735692) is 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride is Cl.NC(=O)C1(NC(=O)CNCC2CC2)CCCCC1.
What is the InChIKey of 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OBRLEIOPPVWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c14-12(18)13(6-2-1-3-7-13)16-11(17)9-15-8-10-4-5-10;/h10,15H,1-9H2,(H2,14,18)(H,16,17);1H.
What are the key properties of 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride?
1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119735692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).