2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride

C12H25ClN2O — CID 119668927

IUPAC2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)C1CCCCCCC1N.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14-12(15)10-7-5-3-4-6-8-11(10)13;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyDMFHUSSPMZYNLF-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride

2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride (PubChem CID 119668927) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
PubChem CID119668927
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)C1CCCCCCC1N.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14-12(15)10-7-5-3-4-6-8-11(10)13;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyDMFHUSSPMZYNLF-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
2-[(2-aminocyclohexanecarbonyl)amino]-2-cyclohexylacetic acid
CID 64822459
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
2-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 64603110
tert-butyl N-[(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexyl]carbamate;cis-(1R,2S)-2-amino-N-propan-2-ylcyclohexane-1-carboxamide;cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;hydrochloride
CID 159578071
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 64823561
2-amino-N-pent-1-yn-3-ylcycloheptane-1-carboxamide
CID 106230271

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride (CID 119668927) is 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride is CC(C)NC(=O)C1CCCCCCC1N.Cl.
What is the InChIKey of 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride?
The InChIKey is DMFHUSSPMZYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)14-12(15)10-7-5-3-4-6-8-11(10)13;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride?
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119668927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).