2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine

C15H33N — CID 83142777

IUPAC2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-7-9-10-14(8-2)12-16-11-13(3)15(4,5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyKYUFHTYALMCGNI-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.47
Rot. Bonds8

About 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine

2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine (PubChem CID 83142777) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
PubChem CID83142777
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-7-9-10-14(8-2)12-16-11-13(3)15(4,5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyKYUFHTYALMCGNI-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
CID 83144065
N,2-diethylhexan-1-amine
CID 14272988
N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
CID 104828083
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine (CID 83142777) is 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine is CCCCC(CC)CNCC(C)C(C)(C)C.
What is the InChIKey of 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine?
The InChIKey is KYUFHTYALMCGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-9-10-14(8-2)12-16-11-13(3)15(4,5)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine?
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine is sourced from PubChem (CID 83142777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).