trans-(1R,2R)-cyclobutane-1,2-diamine

C4H10N2 — CID 10986152

IUPACtrans-(1R,2R)-cyclobutane-1,2-diamine
SMILESN[C@@H]1CC[C@H]1N
InChIInChI=1S/C4H10N2/c5-3-1-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1
InChIKeyVHCQWQAYVBRQQC-QWWZWVQMSA-N
MW86.14 g/mol
LogP-0.57
Rot. Bonds

About trans-(1R,2R)-cyclobutane-1,2-diamine

trans-(1R,2R)-cyclobutane-1,2-diamine (PubChem CID 10986152) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is trans-(1R,2R)-cyclobutane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-cyclobutane-1,2-diamine
PubChem CID10986152
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Nametrans-(1R,2R)-cyclobutane-1,2-diamine
SMILESN[C@@H]1CC[C@H]1N
InChIInChI=1S/C4H10N2/c5-3-1-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1
InChIKeyVHCQWQAYVBRQQC-QWWZWVQMSA-N
XLogP-0.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-cyclobutane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-cyclobutane-1,2-diamine (CID 10986152) is trans-(1R,2R)-cyclobutane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-cyclobutane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-cyclobutane-1,2-diamine is N[C@@H]1CC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-cyclobutane-1,2-diamine?
The InChIKey is VHCQWQAYVBRQQC-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10N2/c5-3-1-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-cyclobutane-1,2-diamine?
trans-(1R,2R)-cyclobutane-1,2-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-cyclobutane-1,2-diamine is sourced from PubChem (CID 10986152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).