2-methyl-2-(methylamino)heptanamide

C9H20N2O — CID 80557436

IUPAC2-methyl-2-(methylamino)heptanamide
SMILESCCCCCC(C)(NC)C(N)=O
InChIInChI=1S/C9H20N2O/c1-4-5-6-7-9(2,11-3)8(10)12/h11H,4-7H2,1-3H3,(H2,10,12)
InChIKeyKYZDMTAXWXLKEJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.03
Rot. Bonds6

About 2-methyl-2-(methylamino)heptanamide

2-methyl-2-(methylamino)heptanamide (PubChem CID 80557436) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)heptanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)heptanamide
PubChem CID80557436
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-2-(methylamino)heptanamide
SMILESCCCCCC(C)(NC)C(N)=O
InChIInChI=1S/C9H20N2O/c1-4-5-6-7-9(2,11-3)8(10)12/h11H,4-7H2,1-3H3,(H2,10,12)
InChIKeyKYZDMTAXWXLKEJ-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
CID 107755391
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755381
2,2-dimethyldecanamide
CID 22596903
2,2-dimethylhexadecanamide
CID 23297438
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
2-methyl-2-(methylamino)-6-(3,3,3-trifluoropropoxy)hexanamide
CID 82957965
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
6-[ethyl(2-methylbutyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 79482211

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)heptanamide?
The IUPAC name of 2-methyl-2-(methylamino)heptanamide (CID 80557436) is 2-methyl-2-(methylamino)heptanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)heptanamide?
The canonical SMILES for 2-methyl-2-(methylamino)heptanamide is CCCCCC(C)(NC)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)heptanamide?
The InChIKey is KYZDMTAXWXLKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-6-7-9(2,11-3)8(10)12/h11H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 2-methyl-2-(methylamino)heptanamide?
2-methyl-2-(methylamino)heptanamide has a molecular weight of 172.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)heptanamide is sourced from PubChem (CID 80557436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).