N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide

C13H28N2O — CID 115271233

IUPACN-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
SMILESCCCCCCC(=O)NCC(C)(C)CNC
InChIInChI=1S/C13H28N2O/c1-5-6-7-8-9-12(16)15-11-13(2,3)10-14-4/h14H,5-11H2,1-4H3,(H,15,16)
InChIKeyMBGYBWANERMHOY-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds9

About N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide

N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide (PubChem CID 115271233) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
PubChem CID115271233
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
SMILESCCCCCCC(=O)NCC(C)(C)CNC
InChIInChI=1S/C13H28N2O/c1-5-6-7-8-9-12(16)15-11-13(2,3)10-14-4/h14H,5-11H2,1-4H3,(H,15,16)
InChIKeyMBGYBWANERMHOY-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
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

N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
1-butyl-3-[2,2-dimethyl-3-(methylamino)propyl]urea
CID 22381505
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decyl-7,7-dimethyloctanamide
CID 139961894

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide (CID 115271233) is N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide is CCCCCCC(=O)NCC(C)(C)CNC.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide?
The InChIKey is MBGYBWANERMHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-7-8-9-12(16)15-11-13(2,3)10-14-4/h14H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide?
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide is sourced from PubChem (CID 115271233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).