2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride

C12H27ClN2O — CID 120832362

IUPAC2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)NCC(C)NC.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-5-7-8-11(6-2)12(15)14-9-10(3)13-4;/h10-11,13H,5-9H2,1-4H3,(H,14,15);1H
InChIKeyLAWDRHIVQDSXNL-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.35
Rot. Bonds8

About 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride

2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride (PubChem CID 120832362) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride
PubChem CID120832362
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)NCC(C)NC.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-5-7-8-11(6-2)12(15)14-9-10(3)13-4;/h10-11,13H,5-9H2,1-4H3,(H,14,15);1H
InChIKeyLAWDRHIVQDSXNL-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-pentylhexanamide
CID 5123867
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]hexanamide
CID 113430445
methyl 2-chloro-3-(2-ethylhexanoylamino)propanoate
CID 103492909
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
(2S)-2-ethylhexanehydrazide
CID 40549650
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386
6-ethyl-2-methyldecane-3,5-dione
CID 158922502

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride?
The IUPAC name of 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride (CID 120832362) is 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride is CCCCC(CC)C(=O)NCC(C)NC.Cl.
What is the InChIKey of 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride?
The InChIKey is LAWDRHIVQDSXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-5-7-8-11(6-2)12(15)14-9-10(3)13-4;/h10-11,13H,5-9H2,1-4H3,(H,14,15);1H.
What are the key properties of 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride?
2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride is sourced from PubChem (CID 120832362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).