cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine

C5H12N2 — CID 89424924

IUPACcis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine
SMILESC[C@@H](N)[C@@H]1C[C@@H]1N
InChIInChI=1S/C5H12N2/c1-3(6)4-2-5(4)7/h3-5H,2,6-7H2,1H3/t3-,4+,5+/m1/s1
InChIKeyXNFJRLHMABJPHF-WISUUJSJSA-N
MW100.17 g/mol
LogP-0.32
Rot. Bonds1

About cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine

cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine (PubChem CID 89424924) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine
PubChem CID89424924
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Namecis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine
SMILESC[C@@H](N)[C@@H]1C[C@@H]1N
InChIInChI=1S/C5H12N2/c1-3(6)4-2-5(4)7/h3-5H,2,6-7H2,1H3/t3-,4+,5+/m1/s1
InChIKeyXNFJRLHMABJPHF-WISUUJSJSA-N
XLogP-0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine (CID 89424924) is cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine is C[C@@H](N)[C@@H]1C[C@@H]1N.
What is the InChIKey of cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine?
The InChIKey is XNFJRLHMABJPHF-WISUUJSJSA-N. The full InChI is InChI=1S/C5H12N2/c1-3(6)4-2-5(4)7/h3-5H,2,6-7H2,1H3/t3-,4+,5+/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine?
cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine has a molecular weight of 100.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(1R)-1-aminoethyl]cyclopropan-1-amine is sourced from PubChem (CID 89424924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).