bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride

C15H35ClN2O2 — CID 173263480

IUPACbis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
SMILESC=C(CCC(C)(C)C)C(=O)O.CN(C)C.CN(C)C.Cl
InChIInChI=1S/C9H16O2.2C3H9N.ClH/c1-7(8(10)11)5-6-9(2,3)4;2*1-4(2)3;/h1,5-6H2,2-4H3,(H,10,11);2*1-3H3;1H
InChIKeyQPPRMZDMEFIIOK-UHFFFAOYSA-N
MW310.91 g/mol
LogP3.23
Rot. Bonds3

About bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride

bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride (PubChem CID 173263480) has the molecular formula C15H35ClN2O2 and a molecular weight of 310.91 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
PubChem CID173263480
Molecular FormulaC15H35ClN2O2
Molecular Weight310.91 g/mol
Exact Mass310.24
IUPAC Namebis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
SMILESC=C(CCC(C)(C)C)C(=O)O.CN(C)C.CN(C)C.Cl
InChIInChI=1S/C9H16O2.2C3H9N.ClH/c1-7(8(10)11)5-6-9(2,3)4;2*1-4(2)3;/h1,5-6H2,2-4H3,(H,10,11);2*1-3H3;1H
InChIKeyQPPRMZDMEFIIOK-UHFFFAOYSA-N
XLogP3.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
CID 87206674
5,5-dimethyl-2-methylidenehexanamide
CID 118453407
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
2-(dimethylamino)-2,6,6-trimethylheptan-3-one
CID 79047134
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneheptanoic acid
CID 87445521
4,4-dimethylpentanamide;hydrochloride
CID 141202343
2-methylidenepentanoic acid;hydrate
CID 88770361
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid
CID 174790892
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneoctanoic acid
CID 118453604
2,11-dimethylidenedodecanedioic acid
CID 20542368

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride?
The IUPAC name of bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride (CID 173263480) is bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride.
What is the SMILES notation for bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride?
The canonical SMILES for bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride is C=C(CCC(C)(C)C)C(=O)O.CN(C)C.CN(C)C.Cl.
What is the InChIKey of bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride?
The InChIKey is QPPRMZDMEFIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.2C3H9N.ClH/c1-7(8(10)11)5-6-9(2,3)4;2*1-4(2)3;/h1,5-6H2,2-4H3,(H,10,11);2*1-3H3;1H.
What are the key properties of bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride?
bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride has a molecular weight of 310.91 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride is sourced from PubChem (CID 173263480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).