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

C13H29Cl2N3O — CID 119830623

IUPAC1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-12(2,16(3)4)10-15-11(17)13(14)8-6-5-7-9-13;;/h5-10,14H2,1-4H3,(H,15,17);2*1H
InChIKeyBAFAYNHLKAANQK-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.95
Rot. Bonds4

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

1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119830623) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119830623
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-12(2,16(3)4)10-15-11(17)13(14)8-6-5-7-9-13;;/h5-10,14H2,1-4H3,(H,15,17);2*1H
InChIKeyBAFAYNHLKAANQK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
1-[2-[[2-(dimethylamino)-2-methylpropyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60940390
1-carbamothioyl-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80588971
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 79854548
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
1-amino-N',N'-dimethylcyclohexane-1-carbohydrazide
CID 83021408
1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119272923
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80588679
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 82945894

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119830623) is 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride is CN(C)C(C)(C)CNC(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is BAFAYNHLKAANQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-12(2,16(3)4)10-15-11(17)13(14)8-6-5-7-9-13;;/h5-10,14H2,1-4H3,(H,15,17);2*1H.
What are the key properties of 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119830623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).