3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride

C13H29Cl2N3O — CID 119830598

IUPAC3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-13(2,16(3)4)9-15-12(17)10-6-5-7-11(14)8-10;;/h10-11H,5-9,14H2,1-4H3,(H,15,17);2*1H
InChIKeyJIYLSABCMREDAO-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.80
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119830598) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119830598
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)C1CCCC(N)C1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-13(2,16(3)4)9-15-12(17)10-6-5-7-11(14)8-10;;/h10-11H,5-9,14H2,1-4H3,(H,15,17);2*1H
InChIKeyJIYLSABCMREDAO-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66174277
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CID 106291669
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119700662
3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119727711
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
CID 80527416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119830598) is 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride is CN(C)C(C)(C)CNC(=O)C1CCCC(N)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is JIYLSABCMREDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-13(2,16(3)4)9-15-12(17)10-6-5-7-11(14)8-10;;/h10-11H,5-9,14H2,1-4H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119830598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).