4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride

C12H27Cl2N3O — CID 119889114

IUPAC4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
SMILESCN(C)C1CCCC(NC(=O)CCCN)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-15(2)11-6-3-5-10(9-11)14-12(16)7-4-8-13;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyQAFPQHBMOHCWLZ-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.56
Rot. Bonds5

About 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride

4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride (PubChem CID 119889114) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
PubChem CID119889114
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
SMILESCN(C)C1CCCC(NC(=O)CCCN)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-15(2)11-6-3-5-10(9-11)14-12(16)7-4-8-13;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyQAFPQHBMOHCWLZ-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
CID 120597030
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide
CID 167795877
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
CID 119889118
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119878781
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
CID 143974251

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride (CID 119889114) is 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride is CN(C)C1CCCC(NC(=O)CCCN)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride?
The InChIKey is QAFPQHBMOHCWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-15(2)11-6-3-5-10(9-11)14-12(16)7-4-8-13;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride?
4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride is sourced from PubChem (CID 119889114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).