N-[(dimethylamino)methyl]-N-methylpentanamide

C9H20N2O — CID 20652492

IUPACN-[(dimethylamino)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CN(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-7-9(12)11(4)8-10(2)3/h5-8H2,1-4H3
InChIKeyITPQRPVHVQGFHE-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.15
Rot. Bonds5

About N-[(dimethylamino)methyl]-N-methylpentanamide

N-[(dimethylamino)methyl]-N-methylpentanamide (PubChem CID 20652492) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-N-methylpentanamide
PubChem CID20652492
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(dimethylamino)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CN(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-7-9(12)11(4)8-10(2)3/h5-8H2,1-4H3
InChIKeyITPQRPVHVQGFHE-UHFFFAOYSA-N
XLogP1.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-N-methylpentanamide?
The IUPAC name of N-[(dimethylamino)methyl]-N-methylpentanamide (CID 20652492) is N-[(dimethylamino)methyl]-N-methylpentanamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-N-methylpentanamide?
The canonical SMILES for N-[(dimethylamino)methyl]-N-methylpentanamide is CCCCC(=O)N(C)CN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-N-methylpentanamide?
The InChIKey is ITPQRPVHVQGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-6-7-9(12)11(4)8-10(2)3/h5-8H2,1-4H3.
What are the key properties of N-[(dimethylamino)methyl]-N-methylpentanamide?
N-[(dimethylamino)methyl]-N-methylpentanamide has a molecular weight of 172.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-N-methylpentanamide is sourced from PubChem (CID 20652492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).