2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine

C11H25N — CID 43085320

IUPAC2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
SMILESCCC(CC)CNC(C)C(C)C
InChIInChI=1S/C11H25N/c1-6-11(7-2)8-12-10(5)9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyCSFWYMUZYCPLCK-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine

2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine (PubChem CID 43085320) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
PubChem CID43085320
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
SMILESCCC(CC)CNC(C)C(C)C
InChIInChI=1S/C11H25N/c1-6-11(7-2)8-12-10(5)9(3)4/h9-12H,6-8H2,1-5H3
InChIKeyCSFWYMUZYCPLCK-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine
CID 107859023
N-(2,2-difluoroethyl)-3-methylbutan-2-amine
CID 60922159
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
3-methyl-N-(2-pyrrolidin-1-ylbutyl)butan-2-amine
CID 115709196
N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855
2-methyl-3-(3-methylbutan-2-ylamino)propanoic acid
CID 43538632
2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
(3S)-3-amino-1-[[(2S)-3-methylbutan-2-yl]amino]hexan-2-ol
CID 159288643

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine (CID 43085320) is 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine is CCC(CC)CNC(C)C(C)C.
What is the InChIKey of 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine?
The InChIKey is CSFWYMUZYCPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-11(7-2)8-12-10(5)9(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine?
2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 43085320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).