2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide

C11H22Cl2N2O — CID 91127971

IUPAC2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)C(Cl)CCC(Cl)N(C)C
InChIInChI=1S/C11H22Cl2N2O/c1-5-15(6-2)11(16)9(12)7-8-10(13)14(3)4/h9-10H,5-8H2,1-4H3
InChIKeySHUJXKAAEAHWAW-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.37
Rot. Bonds7

About 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide

2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide (PubChem CID 91127971) has the molecular formula C11H22Cl2N2O and a molecular weight of 269.22 g/mol. Its IUPAC name is 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide.

Molecular Properties

Compound Name2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide
PubChem CID91127971
Molecular FormulaC11H22Cl2N2O
Molecular Weight269.22 g/mol
Exact Mass268.11
IUPAC Name2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)C(Cl)CCC(Cl)N(C)C
InChIInChI=1S/C11H22Cl2N2O/c1-5-15(6-2)11(16)9(12)7-8-10(13)14(3)4/h9-10H,5-8H2,1-4H3
InChIKeySHUJXKAAEAHWAW-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-diethylpentanamide
CID 62224091
2,2-dichloro-N,N-diethylacetamide
CID 141409453
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
2-chloro-N,N-dipropylbutanamide
CID 121204586
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
1-chloro-N,N-dimethylpentadecan-1-amine
CID 165176511
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62333186
1-chloro-N,N-dimethylpropan-1-amine;prop-2-enoic acid
CID 159583536
N,N-diethyl-2-octyldodecanamide
CID 54517458
2,3-dibromo-N,N-diethylpropanamide
CID 86249575
N,N-diethyl-2-hydroxy-3-sulfanylpropanamide
CID 86078182

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide?
The IUPAC name of 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide (CID 91127971) is 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide.
What is the SMILES notation for 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide?
The canonical SMILES for 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide is CCN(CC)C(=O)C(Cl)CCC(Cl)N(C)C.
What is the InChIKey of 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide?
The InChIKey is SHUJXKAAEAHWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2N2O/c1-5-15(6-2)11(16)9(12)7-8-10(13)14(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide?
2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide has a molecular weight of 269.22 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide is sourced from PubChem (CID 91127971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).