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

C13H29Cl2N3O2 — CID 120597030

IUPAC4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC1CCCC(N(C)C)C1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-16(2)11-6-4-5-10(7-11)15-13(17)8-12(9-14)18-3;;/h10-12H,4-9,14H2,1-3H3,(H,15,17);2*1H
InChIKeyMHBUPJFCLZINCB-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.18
Rot. Bonds6

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

4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120597030) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120597030
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC Name4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC1CCCC(N(C)C)C1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-16(2)11-6-4-5-10(7-11)15-13(17)8-12(9-14)18-3;;/h10-12H,4-9,14H2,1-3H3,(H,15,17);2*1H
InChIKeyMHBUPJFCLZINCB-UHFFFAOYSA-N
XLogP1.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 120591771
4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
CID 119889114
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride
CID 120597502
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
CID 119889118
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704
4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
CID 120591072
4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
4-amino-N-(1-cyclobutylpentyl)-3-methoxybutanamide
CID 120592498
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride (CID 120597030) is 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NC1CCCC(N(C)C)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is MHBUPJFCLZINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-16(2)11-6-4-5-10(7-11)15-13(17)8-12(9-14)18-3;;/h10-12H,4-9,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120597030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).