N-ethyl-5-methyltridecan-6-amine

C16H35N — CID 114246331

IUPACN-ethyl-5-methyltridecan-6-amine
SMILESCCCCCCCC(NCC)C(C)CCCC
InChIInChI=1S/C16H35N/c1-5-8-10-11-12-14-16(17-7-3)15(4)13-9-6-2/h15-17H,5-14H2,1-4H3
InChIKeyWXMKEDZWIFLBEG-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds12

About N-ethyl-5-methyltridecan-6-amine

N-ethyl-5-methyltridecan-6-amine (PubChem CID 114246331) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-ethyl-5-methyltridecan-6-amine.

Molecular Properties

Compound NameN-ethyl-5-methyltridecan-6-amine
PubChem CID114246331
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-ethyl-5-methyltridecan-6-amine
SMILESCCCCCCCC(NCC)C(C)CCCC
InChIInChI=1S/C16H35N/c1-5-8-10-11-12-14-16(17-7-3)15(4)13-9-6-2/h15-17H,5-14H2,1-4H3
InChIKeyWXMKEDZWIFLBEG-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-ethyl-5-methylnonan-4-amine
CID 138564824
N-ethyl-2,3-dimethylundecan-4-amine
CID 115832523
N-ethyl-2,3-dimethyldecan-4-amine
CID 115833855
N,5-diethylpentadecan-6-amine
CID 115831438
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
4-methyl-N-propyldecan-5-amine
CID 115837654
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyltridecan-6-amine?
The IUPAC name of N-ethyl-5-methyltridecan-6-amine (CID 114246331) is N-ethyl-5-methyltridecan-6-amine.
What is the SMILES notation for N-ethyl-5-methyltridecan-6-amine?
The canonical SMILES for N-ethyl-5-methyltridecan-6-amine is CCCCCCCC(NCC)C(C)CCCC.
What is the InChIKey of N-ethyl-5-methyltridecan-6-amine?
The InChIKey is WXMKEDZWIFLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-8-10-11-12-14-16(17-7-3)15(4)13-9-6-2/h15-17H,5-14H2,1-4H3.
What are the key properties of N-ethyl-5-methyltridecan-6-amine?
N-ethyl-5-methyltridecan-6-amine has a molecular weight of 241.46 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyltridecan-6-amine is sourced from PubChem (CID 114246331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).