N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide

C16H34N2O — CID 174259846

IUPACN-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
SMILESCCCCCCC(C)(C)C(=O)N(C)CCCN(C)C
InChIInChI=1S/C16H34N2O/c1-7-8-9-10-12-16(2,3)15(19)18(6)14-11-13-17(4)5/h7-14H2,1-6H3
InChIKeyKRGMPURSARDIMT-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.39
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide

N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide (PubChem CID 174259846) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
PubChem CID174259846
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
SMILESCCCCCCC(C)(C)C(=O)N(C)CCCN(C)C
InChIInChI=1S/C16H34N2O/c1-7-8-9-10-12-16(2,3)15(19)18(6)14-11-13-17(4)5/h7-14H2,1-6H3
InChIKeyKRGMPURSARDIMT-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-N,N,3-trimethylnonan-1-amine
CID 167121945
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 63693670
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
N-(3,3-dimethyldec-1-en-2-yl)-N-methylacetamide
CID 135141337
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
CID 87839414
CID 87839414
2,2-dimethyldecanamide
CID 22596903
N,2,2-trimethyl-N-pentyl-3-piperazin-1-ylpropanamide
CID 115189056
N-(5-hydroxypentyl)-N,2,2-trimethylbutanamide
CID 107202384
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide (CID 174259846) is N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide is CCCCCCC(C)(C)C(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide?
The InChIKey is KRGMPURSARDIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-8-9-10-12-16(2,3)15(19)18(6)14-11-13-17(4)5/h7-14H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide?
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide has a molecular weight of 270.46 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide is sourced from PubChem (CID 174259846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).