N-ethyl-2-methyloctan-2-amine

C11H25N — CID 123477104

IUPACN-ethyl-2-methyloctan-2-amine
SMILESCCCCCCC(C)(C)NCC
InChIInChI=1S/C11H25N/c1-5-7-8-9-10-11(3,4)12-6-2/h12H,5-10H2,1-4H3
InChIKeyACOCFDGJRYDKMU-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds7

About N-ethyl-2-methyloctan-2-amine

N-ethyl-2-methyloctan-2-amine (PubChem CID 123477104) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-2-methyloctan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyloctan-2-amine
PubChem CID123477104
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-2-methyloctan-2-amine
SMILESCCCCCCC(C)(C)NCC
InChIInChI=1S/C11H25N/c1-5-7-8-9-10-11(3,4)12-6-2/h12H,5-10H2,1-4H3
InChIKeyACOCFDGJRYDKMU-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.34
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

(E)-N-ethyl-2-methylhexadec-9-en-2-amine
CID 19893553
N-ethyl-7-methyltetradecan-7-amine
CID 593697
1,2-bis(2-methylundecan-2-yl)hydrazine
CID 151976473
16,16,21,21-tetramethylhexatriacontane
CID 174880889
N-(decylsulfanylmethyl)-2-methylnonan-2-amine chloride
CID 21147651
N-benzyl-2-methylnonan-2-amine
CID 54410414
3-(2-methyltridecan-2-ylamino)propane-1-sulfonic acid
CID 18699565
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecan-1-amine
CID 81014127
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
1-chloro-3-(2-methylnonadecan-2-ylamino)propan-2-ol;hydrochloride
CID 173082363

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyloctan-2-amine?
The IUPAC name of N-ethyl-2-methyloctan-2-amine (CID 123477104) is N-ethyl-2-methyloctan-2-amine.
What is the SMILES notation for N-ethyl-2-methyloctan-2-amine?
The canonical SMILES for N-ethyl-2-methyloctan-2-amine is CCCCCCC(C)(C)NCC.
What is the InChIKey of N-ethyl-2-methyloctan-2-amine?
The InChIKey is ACOCFDGJRYDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-7-8-9-10-11(3,4)12-6-2/h12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2-methyloctan-2-amine?
N-ethyl-2-methyloctan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyloctan-2-amine is sourced from PubChem (CID 123477104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).