N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride

C12H27ClN2O — CID 119509534

IUPACN-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
SMILESCCNCCNC(=O)CCCC(C)(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-5-13-9-10-14-11(15)7-6-8-12(2,3)4;/h13H,5-10H2,1-4H3,(H,14,15);1H
InChIKeyFGALQFZTANRDCQ-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.35
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride

N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride (PubChem CID 119509534) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
PubChem CID119509534
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
SMILESCCNCCNC(=O)CCCC(C)(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-5-13-9-10-14-11(15)7-6-8-12(2,3)4;/h13H,5-10H2,1-4H3,(H,14,15);1H
InChIKeyFGALQFZTANRDCQ-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5,5-dimethylhexanamide
CID 121264886
4-cyclopentyl-N-[2-(ethylamino)ethyl]butanamide;hydrochloride
CID 119509622
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-(4,4-dimethylpentyl)-6-oxohexanamide
CID 171520123
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-butyl-10,10-dimethylundecanamide
CID 19922141
ethane;N-(3-hydroxypropyl)-5,5-dimethylhexanamide;molecular hydrogen
CID 166490079
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
4-(ethylamino)-N-propylbutanamide
CID 168958611
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
N-(3,3-dimethylbutyl)butanamide
CID 115580246

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride (CID 119509534) is N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride is CCNCCNC(=O)CCCC(C)(C)C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride?
The InChIKey is FGALQFZTANRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-5-13-9-10-14-11(15)7-6-8-12(2,3)4;/h13H,5-10H2,1-4H3,(H,14,15);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride is sourced from PubChem (CID 119509534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).