2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride

C16H35ClN2O — CID 45048901

IUPAC2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(CC)C(C)CCCC(C)C.Cl
InChIInChI=1S/C16H34N2O.ClH/c1-7-17(8-2)13-16(19)18(9-3)15(6)12-10-11-14(4)5;/h14-15H,7-13H2,1-6H3;1H
InChIKeyRSAMWZWKRRMBJS-UHFFFAOYSA-N
MW306.92 g/mol
LogP3.81
Rot. Bonds10

About 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride

2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride (PubChem CID 45048901) has the molecular formula C16H35ClN2O and a molecular weight of 306.92 g/mol. Its IUPAC name is 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride
PubChem CID45048901
Molecular FormulaC16H35ClN2O
Molecular Weight306.92 g/mol
Exact Mass306.24
IUPAC Name2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(CC)C(C)CCCC(C)C.Cl
InChIInChI=1S/C16H34N2O.ClH/c1-7-17(8-2)13-16(19)18(9-3)15(6)12-10-11-14(4)5;/h14-15H,7-13H2,1-6H3;1H
InChIKeyRSAMWZWKRRMBJS-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.92
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride (CID 45048901) is 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride is CCN(CC)CC(=O)N(CC)C(C)CCCC(C)C.Cl.
What is the InChIKey of 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
The InChIKey is RSAMWZWKRRMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.ClH/c1-7-17(8-2)13-16(19)18(9-3)15(6)12-10-11-14(4)5;/h14-15H,7-13H2,1-6H3;1H.
What are the key properties of 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride?
2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride has a molecular weight of 306.92 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-ethyl-N-(6-methylheptan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 45048901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).