2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile

C12H20N2O — CID 65497102

IUPAC2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2CCCCO2)CC1
InChIInChI=1S/C12H20N2O/c13-7-6-12(4-5-12)10-14-9-11-3-1-2-8-15-11/h11,14H,1-6,8-10H2
InChIKeyMZFXDYLTLRUUHK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65497102) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65497102
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2CCCCO2)CC1
InChIInChI=1S/C12H20N2O/c13-7-6-12(4-5-12)10-14-9-11-3-1-2-8-15-11/h11,14H,1-6,8-10H2
InChIKeyMZFXDYLTLRUUHK-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile (CID 65497102) is 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNCC2CCCCO2)CC1.
What is the InChIKey of 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is MZFXDYLTLRUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-6-12(4-5-12)10-14-9-11-3-1-2-8-15-11/h11,14H,1-6,8-10H2.
What are the key properties of 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(oxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).