(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride

C14H31Cl2N3O — CID 119889118

IUPAC(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC1CCCC(N(C)C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-10(2)8-13(15)14(18)16-11-6-5-7-12(9-11)17(3)4;;/h10-13H,5-9,15H2,1-4H3,(H,16,18);2*1H/t11?,12?,13-;;/m0../s1
InChIKeyABUGOXOTWFVSIX-HCXYENKBSA-N
MW328.33 g/mol
LogP2.19
Rot. Bonds5

About (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride

(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride (PubChem CID 119889118) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
PubChem CID119889118
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC1CCCC(N(C)C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-10(2)8-13(15)14(18)16-11-6-5-7-12(9-11)17(3)4;;/h10-13H,5-9,15H2,1-4H3,(H,16,18);2*1H/t11?,12?,13-;;/m0../s1
InChIKeyABUGOXOTWFVSIX-HCXYENKBSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
(2R)-2-amino-N-[3-(dimethylamino)cyclopentyl]propanamide
CID 131172237
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
4-amino-N-[3-(dimethylamino)cyclohexyl]butanamide;dihydrochloride
CID 119889114
4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
CID 120597030
(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104864648
(2R)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104904016
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride (CID 119889118) is (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)NC1CCCC(N(C)C)C1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride?
The InChIKey is ABUGOXOTWFVSIX-HCXYENKBSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-10(2)8-13(15)14(18)16-11-6-5-7-12(9-11)17(3)4;;/h10-13H,5-9,15H2,1-4H3,(H,16,18);2*1H/t11?,12?,13-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride?
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119889118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).