(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride

C14H33Cl2N3O — CID 119842280

IUPAC(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(CC(C)C)N(CC)CC.Cl.Cl
InChIInChI=1S/C14H31N3O.2ClH/c1-6-13(15)14(18)16-10-12(9-11(4)5)17(7-2)8-3;;/h11-13H,6-10,15H2,1-5H3,(H,16,18);2*1H/t12?,13-;;/m0../s1
InChIKeyHFDYLOSWUKEZJO-RIWFDJIXSA-N
MW330.34 g/mol
LogP2.44
Rot. Bonds9

About (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride

(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride (PubChem CID 119842280) has the molecular formula C14H33Cl2N3O and a molecular weight of 330.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
PubChem CID119842280
Molecular FormulaC14H33Cl2N3O
Molecular Weight330.34 g/mol
Exact Mass329.20
IUPAC Name(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(CC(C)C)N(CC)CC.Cl.Cl
InChIInChI=1S/C14H31N3O.2ClH/c1-6-13(15)14(18)16-10-12(9-11(4)5)17(7-2)8-3;;/h11-13H,6-10,15H2,1-5H3,(H,16,18);2*1H/t12?,13-;;/m0../s1
InChIKeyHFDYLOSWUKEZJO-RIWFDJIXSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(diethylamino)-4-methylpentyl]pentanamide
CID 120564481
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
CID 62476772
3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119842264
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-4-methylpentyl]oxolane-2-carboxamide;dihydrochloride
CID 120797665
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride (CID 119842280) is (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride is CC[C@H](N)C(=O)NCC(CC(C)C)N(CC)CC.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride?
The InChIKey is HFDYLOSWUKEZJO-RIWFDJIXSA-N. The full InChI is InChI=1S/C14H31N3O.2ClH/c1-6-13(15)14(18)16-10-12(9-11(4)5)17(7-2)8-3;;/h11-13H,6-10,15H2,1-5H3,(H,16,18);2*1H/t12?,13-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride has a molecular weight of 330.34 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride is sourced from PubChem (CID 119842280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).