2-(1-bicyclo[1.1.0]butanyl)ethanamine

C6H11N — CID 147459530

IUPAC2-(1-bicyclo[1.1.0]butanyl)ethanamine
SMILESNCCC12CC1C2
InChIInChI=1S/C6H11N/c7-2-1-6-3-5(6)4-6/h5H,1-4,7H2
InChIKeyDZQSWQWVVVZKGK-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.75
Rot. Bonds2

About 2-(1-bicyclo[1.1.0]butanyl)ethanamine

2-(1-bicyclo[1.1.0]butanyl)ethanamine (PubChem CID 147459530) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.0]butanyl)ethanamine.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.0]butanyl)ethanamine
PubChem CID147459530
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2-(1-bicyclo[1.1.0]butanyl)ethanamine
SMILESNCCC12CC1C2
InChIInChI=1S/C6H11N/c7-2-1-6-3-5(6)4-6/h5H,1-4,7H2
InChIKeyDZQSWQWVVVZKGK-UHFFFAOYSA-N
XLogP0.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-bicyclo[3.1.0]hexanyl)ethanamine
CID 21391834
2-(4-cyclopropylthian-4-yl)ethanamine
CID 83817513
3-(1-bicyclo[3.1.0]hexanyl)propan-1-amine
CID 21392679
2-[1-(1-methylpiperidin-4-yl)cyclopentyl]ethanamine
CID 83820856
(1S,2S,4S)-2-(2-aminoethyl)bicyclo[2.2.1]heptan-2-ol
CID 124594733
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
CID 818513
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
CID 53444440
2-(3-ethynyl-1-methylcyclobutyl)ethanamine
CID 137413142
1-(2-aminoethyl)-3-propan-2-ylcyclobutan-1-ol
CID 103565540
(2R,4S,5S)-4-(2-aminoethyl)-1,2,5-trimethylpiperidin-4-ol
CID 98110141
2-[(1R,2R,4S)-2-chloro-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethanamine;hydrochloride
CID 70620543
2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine
CID 83907096

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.0]butanyl)ethanamine?
The IUPAC name of 2-(1-bicyclo[1.1.0]butanyl)ethanamine (CID 147459530) is 2-(1-bicyclo[1.1.0]butanyl)ethanamine.
What is the SMILES notation for 2-(1-bicyclo[1.1.0]butanyl)ethanamine?
The canonical SMILES for 2-(1-bicyclo[1.1.0]butanyl)ethanamine is NCCC12CC1C2.
What is the InChIKey of 2-(1-bicyclo[1.1.0]butanyl)ethanamine?
The InChIKey is DZQSWQWVVVZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c7-2-1-6-3-5(6)4-6/h5H,1-4,7H2.
What are the key properties of 2-(1-bicyclo[1.1.0]butanyl)ethanamine?
2-(1-bicyclo[1.1.0]butanyl)ethanamine has a molecular weight of 97.16 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.0]butanyl)ethanamine is sourced from PubChem (CID 147459530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).