2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine

C16H35N — CID 102905339

IUPAC2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(C(C)C)C(C)C
InChIInChI=1S/C16H35N/c1-7-9-10-15(8-2)11-17-12-16(13(3)4)14(5)6/h13-17H,7-12H2,1-6H3
InChIKeyPJBZAFORZJFYOP-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.72
Rot. Bonds10

About 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine

2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine (PubChem CID 102905339) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
PubChem CID102905339
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(C(C)C)C(C)C
InChIInChI=1S/C16H35N/c1-7-9-10-15(8-2)11-17-12-16(13(3)4)14(5)6/h13-17H,7-12H2,1-6H3
InChIKeyPJBZAFORZJFYOP-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
N,2-diethylhexan-1-amine
CID 14272988
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
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
2-ethyl-N-pentylhexan-1-amine
CID 43081963
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
7-ethyl-3-methylundecane
CID 57085432

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine (CID 102905339) is 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine is CCCCC(CC)CNCC(C(C)C)C(C)C.
What is the InChIKey of 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine?
The InChIKey is PJBZAFORZJFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-9-10-15(8-2)11-17-12-16(13(3)4)14(5)6/h13-17H,7-12H2,1-6H3.
What are the key properties of 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine?
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine is sourced from PubChem (CID 102905339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).