cis-(1R,2R)-1-methylcyclopropane-1,2-diamine

C4H10N2 — CID 69204315

IUPACcis-(1R,2R)-1-methylcyclopropane-1,2-diamine
SMILESC[C@@]1(N)C[C@H]1N
InChIInChI=1S/C4H10N2/c1-4(6)2-3(4)5/h3H,2,5-6H2,1H3/t3-,4-/m1/s1
InChIKeyOFGPADUXZCUDRS-QWWZWVQMSA-N
MW86.14 g/mol
LogP-0.57
Rot. Bonds

About cis-(1R,2R)-1-methylcyclopropane-1,2-diamine

cis-(1R,2R)-1-methylcyclopropane-1,2-diamine (PubChem CID 69204315) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is cis-(1R,2R)-1-methylcyclopropane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2R)-1-methylcyclopropane-1,2-diamine
PubChem CID69204315
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Namecis-(1R,2R)-1-methylcyclopropane-1,2-diamine
SMILESC[C@@]1(N)C[C@H]1N
InChIInChI=1S/C4H10N2/c1-4(6)2-3(4)5/h3H,2,5-6H2,1H3/t3-,4-/m1/s1
InChIKeyOFGPADUXZCUDRS-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 cis-(1R,2R)-1-methylcyclopropane-1,2-diamine?
The IUPAC name of cis-(1R,2R)-1-methylcyclopropane-1,2-diamine (CID 69204315) is cis-(1R,2R)-1-methylcyclopropane-1,2-diamine.
What is the SMILES notation for cis-(1R,2R)-1-methylcyclopropane-1,2-diamine?
The canonical SMILES for cis-(1R,2R)-1-methylcyclopropane-1,2-diamine is C[C@@]1(N)C[C@H]1N.
What is the InChIKey of cis-(1R,2R)-1-methylcyclopropane-1,2-diamine?
The InChIKey is OFGPADUXZCUDRS-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10N2/c1-4(6)2-3(4)5/h3H,2,5-6H2,1H3/t3-,4-/m1/s1.
What are the key properties of cis-(1R,2R)-1-methylcyclopropane-1,2-diamine?
cis-(1R,2R)-1-methylcyclopropane-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 cis-(1R,2R)-1-methylcyclopropane-1,2-diamine is sourced from PubChem (CID 69204315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).