N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride

C15H33ClN2O — CID 120607605

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-6-8-9-13(7-2)14(18)17-15(5,11-16)10-12(3)4;/h12-13H,6-11,16H2,1-5H3,(H,17,18);1H
InChIKeyHWIMMZBHMGOZAF-UHFFFAOYSA-N
MW292.90 g/mol
LogP3.50
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride (PubChem CID 120607605) has the molecular formula C15H33ClN2O and a molecular weight of 292.90 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
PubChem CID120607605
Molecular FormulaC15H33ClN2O
Molecular Weight292.90 g/mol
Exact Mass292.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-6-8-9-13(7-2)14(18)17-15(5,11-16)10-12(3)4;/h12-13H,6-11,16H2,1-5H3,(H,17,18);1H
InChIKeyHWIMMZBHMGOZAF-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
CID 120607591
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 119599208
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
(2S)-2-ethylhexanehydrazide
CID 40549650
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
CID 112745073
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride (CID 120607605) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride is CCCCC(CC)C(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride?
The InChIKey is HWIMMZBHMGOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.ClH/c1-6-8-9-13(7-2)14(18)17-15(5,11-16)10-12(3)4;/h12-13H,6-11,16H2,1-5H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride has a molecular weight of 292.90 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride is sourced from PubChem (CID 120607605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).