cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine

C6H13NO — CID 171466895

IUPACcis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)O[C@@H]1C[C@@H]1N
InChIInChI=1S/C6H13NO/c1-4(2)8-6-3-5(6)7/h4-6H,3,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyFYVAGZKHKJHOCD-NTSWFWBYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds2

About cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine

cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine (PubChem CID 171466895) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
PubChem CID171466895
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
SMILESCC(C)O[C@@H]1C[C@@H]1N
InChIInChI=1S/C6H13NO/c1-4(2)8-6-3-5(6)7/h4-6H,3,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyFYVAGZKHKJHOCD-NTSWFWBYSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine (CID 171466895) is cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine is CC(C)O[C@@H]1C[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine?
The InChIKey is FYVAGZKHKJHOCD-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4(2)8-6-3-5(6)7/h4-6H,3,7H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine?
cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine is sourced from PubChem (CID 171466895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).