1-(oxetan-2-ylmethyl)cyclopropan-1-amine

C7H13NO — CID 84647961

IUPAC1-(oxetan-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2CCO2)CC1
InChIInChI=1S/C7H13NO/c8-7(2-3-7)5-6-1-4-9-6/h6H,1-5,8H2
InChIKeyBNHBOCQOFBPVCD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds2

About 1-(oxetan-2-ylmethyl)cyclopropan-1-amine

1-(oxetan-2-ylmethyl)cyclopropan-1-amine (PubChem CID 84647961) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(oxetan-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(oxetan-2-ylmethyl)cyclopropan-1-amine
PubChem CID84647961
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(oxetan-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2CCO2)CC1
InChIInChI=1S/C7H13NO/c8-7(2-3-7)5-6-1-4-9-6/h6H,1-5,8H2
InChIKeyBNHBOCQOFBPVCD-UHFFFAOYSA-N
XLogP0.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(oxetan-2-ylmethyl)cyclopropan-1-amine (CID 84647961) is 1-(oxetan-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(oxetan-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(oxetan-2-ylmethyl)cyclopropan-1-amine is NC1(CC2CCO2)CC1.
What is the InChIKey of 1-(oxetan-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is BNHBOCQOFBPVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-7(2-3-7)5-6-1-4-9-6/h6H,1-5,8H2.
What are the key properties of 1-(oxetan-2-ylmethyl)cyclopropan-1-amine?
1-(oxetan-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 84647961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).