N,N,2-trimethyltridecan-1-amine

C16H35N — CID 90750057

IUPACN,N,2-trimethyltridecan-1-amine
SMILESCCCCCCCCCCCC(C)CN(C)C
InChIInChI=1S/C16H35N/c1-5-6-7-8-9-10-11-12-13-14-16(2)15-17(3)4/h16H,5-15H2,1-4H3
InChIKeyUKVPEPIGISCDRR-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.11
Rot. Bonds12

About N,N,2-trimethyltridecan-1-amine

N,N,2-trimethyltridecan-1-amine (PubChem CID 90750057) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N,2-trimethyltridecan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyltridecan-1-amine
PubChem CID90750057
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N,2-trimethyltridecan-1-amine
SMILESCCCCCCCCCCCC(C)CN(C)C
InChIInChI=1S/C16H35N/c1-5-6-7-8-9-10-11-12-13-14-16(2)15-17(3)4/h16H,5-15H2,1-4H3
InChIKeyUKVPEPIGISCDRR-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-N,2-dimethyloctan-1-amine
CID 170106040
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
6-methyloctacosane
CID 22223942
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyltridecan-1-amine?
The IUPAC name of N,N,2-trimethyltridecan-1-amine (CID 90750057) is N,N,2-trimethyltridecan-1-amine.
What is the SMILES notation for N,N,2-trimethyltridecan-1-amine?
The canonical SMILES for N,N,2-trimethyltridecan-1-amine is CCCCCCCCCCCC(C)CN(C)C.
What is the InChIKey of N,N,2-trimethyltridecan-1-amine?
The InChIKey is UKVPEPIGISCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-6-7-8-9-10-11-12-13-14-16(2)15-17(3)4/h16H,5-15H2,1-4H3.
What are the key properties of N,N,2-trimethyltridecan-1-amine?
N,N,2-trimethyltridecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyltridecan-1-amine is sourced from PubChem (CID 90750057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).