2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride

C15H33Cl2N3O — CID 119850478

IUPAC2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCC(C1CCCCC1)N(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-4-8-13(16)15(19)17-11-14(18(2)3)12-9-6-5-7-10-12;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyMLTZTGMKSMQLCO-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.58
Rot. Bonds7

About 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride

2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride (PubChem CID 119850478) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
PubChem CID119850478
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCC(C1CCCCC1)N(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-4-8-13(16)15(19)17-11-14(18(2)3)12-9-6-5-7-10-12;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyMLTZTGMKSMQLCO-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]pentanamide
CID 119859192
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119850474
(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
CID 119859211
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-phenylacetamide;dihydrochloride
CID 119850460
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
CID 94119176
(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850522
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
4-(2-amino-2-oxoethyl)-N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboxamide
CID 94097241

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride (CID 119850478) is 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride is CCCC(N)C(=O)NCC(C1CCCCC1)N(C)C.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride?
The InChIKey is MLTZTGMKSMQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-4-8-13(16)15(19)17-11-14(18(2)3)12-9-6-5-7-10-12;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride?
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119850478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).