N-ethyl-4,4-dimethyldodecan-2-amine

C16H35N — CID 64717862

IUPACN-ethyl-4,4-dimethyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)NCC
InChIInChI=1S/C16H35N/c1-6-8-9-10-11-12-13-16(4,5)14-15(3)17-7-2/h15,17H,6-14H2,1-5H3
InChIKeyBAUAIUCKNIFOIX-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds11

About N-ethyl-4,4-dimethyldodecan-2-amine

N-ethyl-4,4-dimethyldodecan-2-amine (PubChem CID 64717862) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyldodecan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyldodecan-2-amine
PubChem CID64717862
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-ethyl-4,4-dimethyldodecan-2-amine
SMILESCCCCCCCCC(C)(C)CC(C)NCC
InChIInChI=1S/C16H35N/c1-6-8-9-10-11-12-13-16(4,5)14-15(3)17-7-2/h15,17H,6-14H2,1-5H3
InChIKeyBAUAIUCKNIFOIX-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
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

N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818
4,4-dimethyldodecan-2-amine
CID 64715723
4,4-dimethyldecan-2-ol
CID 19931322
4,6,6-trimethyldodecane
CID 123621829
16,16,21,21-tetramethylhexatriacontane
CID 174880889
pentane;7,7,9-trimethylpentadecane
CID 161309819
6,6,8-trimethyltridecane
CID 123736183
1-bromo-2,2-dimethyldecane
CID 66048838
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyldodecan-2-amine?
The IUPAC name of N-ethyl-4,4-dimethyldodecan-2-amine (CID 64717862) is N-ethyl-4,4-dimethyldodecan-2-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyldodecan-2-amine?
The canonical SMILES for N-ethyl-4,4-dimethyldodecan-2-amine is CCCCCCCCC(C)(C)CC(C)NCC.
What is the InChIKey of N-ethyl-4,4-dimethyldodecan-2-amine?
The InChIKey is BAUAIUCKNIFOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-6-8-9-10-11-12-13-16(4,5)14-15(3)17-7-2/h15,17H,6-14H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyldodecan-2-amine?
N-ethyl-4,4-dimethyldodecan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyldodecan-2-amine is sourced from PubChem (CID 64717862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).