N-ethyl-5,5-dimethyldodecan-1-amine

C16H35N — CID 139313220

IUPACN-ethyl-5,5-dimethyldodecan-1-amine
SMILESCCCCCCCC(C)(C)CCCCNCC
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-13-16(3,4)14-11-12-15-17-6-2/h17H,5-15H2,1-4H3
InChIKeyUYEILCDJZBKAER-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds12

About N-ethyl-5,5-dimethyldodecan-1-amine

N-ethyl-5,5-dimethyldodecan-1-amine (PubChem CID 139313220) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyldodecan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyldodecan-1-amine
PubChem CID139313220
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-ethyl-5,5-dimethyldodecan-1-amine
SMILESCCCCCCCC(C)(C)CCCCNCC
InChIInChI=1S/C16H35N/c1-5-7-8-9-10-13-16(3,4)14-11-12-15-17-6-2/h17H,5-15H2,1-4H3
InChIKeyUYEILCDJZBKAER-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

2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
lithium;N-ethylhexan-1-amine;hydride
CID 174419930
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyldodecan-1-amine?
The IUPAC name of N-ethyl-5,5-dimethyldodecan-1-amine (CID 139313220) is N-ethyl-5,5-dimethyldodecan-1-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyldodecan-1-amine?
The canonical SMILES for N-ethyl-5,5-dimethyldodecan-1-amine is CCCCCCCC(C)(C)CCCCNCC.
What is the InChIKey of N-ethyl-5,5-dimethyldodecan-1-amine?
The InChIKey is UYEILCDJZBKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-7-8-9-10-13-16(3,4)14-11-12-15-17-6-2/h17H,5-15H2,1-4H3.
What are the key properties of N-ethyl-5,5-dimethyldodecan-1-amine?
N-ethyl-5,5-dimethyldodecan-1-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-5,5-dimethyldodecan-1-amine is sourced from PubChem (CID 139313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).