2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride

C16H35ClN2O — CID 3028502

IUPAC2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride
SMILESCCCCCC(C(=O)NC(C)(C)CC)N(CC)CC.Cl
InChIInChI=1S/C16H34N2O.ClH/c1-7-11-12-13-14(18(9-3)10-4)15(19)17-16(5,6)8-2;/h14H,7-13H2,1-6H3,(H,17,19);1H
InChIKeyXXLXDJHDPMABHA-UHFFFAOYSA-N
MW306.92 g/mol
LogP4.00
Rot. Bonds10

About 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride

2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride (PubChem CID 3028502) has the molecular formula C16H35ClN2O and a molecular weight of 306.92 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride
PubChem CID3028502
Molecular FormulaC16H35ClN2O
Molecular Weight306.92 g/mol
Exact Mass306.24
IUPAC Name2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride
SMILESCCCCCC(C(=O)NC(C)(C)CC)N(CC)CC.Cl
InChIInChI=1S/C16H34N2O.ClH/c1-7-11-12-13-14(18(9-3)10-4)15(19)17-16(5,6)8-2;/h14H,7-13H2,1-6H3,(H,17,19);1H
InChIKeyXXLXDJHDPMABHA-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride (CID 3028502) is 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride is CCCCCC(C(=O)NC(C)(C)CC)N(CC)CC.Cl.
What is the InChIKey of 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride?
The InChIKey is XXLXDJHDPMABHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.ClH/c1-7-11-12-13-14(18(9-3)10-4)15(19)17-16(5,6)8-2;/h14H,7-13H2,1-6H3,(H,17,19);1H.
What are the key properties of 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride?
2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride has a molecular weight of 306.92 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-methylbutan-2-yl)heptanamide;hydrochloride is sourced from PubChem (CID 3028502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).