N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine

C12H23N — CID 155094502

IUPACN-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine
SMILESCCC(C)NCCC1C2C(CC)C12
InChIInChI=1S/C12H23N/c1-4-8(3)13-7-6-10-11-9(5-2)12(10)11/h8-13H,4-7H2,1-3H3
InChIKeyNMLVZTUTDBXQDK-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine

N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine (PubChem CID 155094502) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine
PubChem CID155094502
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine
SMILESCCC(C)NCCC1C2C(CC)C12
InChIInChI=1S/C12H23N/c1-4-8(3)13-7-6-10-11-9(5-2)12(10)11/h8-13H,4-7H2,1-3H3
InChIKeyNMLVZTUTDBXQDK-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine (CID 155094502) is N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine is CCC(C)NCCC1C2C(CC)C12.
What is the InChIKey of N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine?
The InChIKey is NMLVZTUTDBXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-8(3)13-7-6-10-11-9(5-2)12(10)11/h8-13H,4-7H2,1-3H3.
What are the key properties of N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine?
N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-2-bicyclo[1.1.0]butanyl)ethyl]butan-2-amine is sourced from PubChem (CID 155094502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).