2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)

C8H18N2 — CID 46362

IUPAC2-[(1S,2S)-2-(2-aminoethyl)cyclobutyl]ethanamine
SMILESC1C[C@H]([C@@H]1CCN)CCN
InChIInChI=1S/C8H18N2/c9-5-3-7-1-2-8(7)4-6-10/h7-8H,1-6,9-10H2/t7-,8-/m0/s1
InChIKeyUPHOTCOTHJGYEE-YUMQZZPRSA-N
MW142.24 g/mol
LogP0.40
Rot. Bonds4

About 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)

2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine) (PubChem CID 46362) has the molecular formula C8H18N2 and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(2-aminoethyl)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)
PubChem CID46362
Molecular FormulaC8H18N2
Molecular Weight142.24 g/mol
Exact Mass142.15
IUPAC Name2-[(1S,2S)-2-(2-aminoethyl)cyclobutyl]ethanamine
SMILESC1C[C@H]([C@@H]1CCN)CCN
InChIInChI=1S/C8H18N2/c9-5-3-7-1-2-8(7)4-6-10/h7-8H,1-6,9-10H2/t7-,8-/m0/s1
InChIKeyUPHOTCOTHJGYEE-YUMQZZPRSA-N
XLogP0.40
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity81

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)?
The IUPAC name of 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine) (CID 46362) is 2-[(1S,2S)-2-(2-aminoethyl)cyclobutyl]ethanamine.
What is the SMILES notation for 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)?
The canonical SMILES for 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine) is C1C[C@H]([C@@H]1CCN)CCN.
What is the InChIKey of 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)?
The InChIKey is UPHOTCOTHJGYEE-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18N2/c9-5-3-7-1-2-8(7)4-6-10/h7-8H,1-6,9-10H2/t7-,8-/m0/s1.
What are the key properties of 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine)?
2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine) has a molecular weight of 142.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-(Cyclobutane-1,2-diyl)di(ethan-1-amine) is sourced from PubChem (CID 46362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).