2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile

C11H18N2O2 — CID 65497299

IUPAC2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2COCCO2)CC1
InChIInChI=1S/C11H18N2O2/c12-4-3-11(1-2-11)9-13-7-10-8-14-5-6-15-10/h10,13H,1-3,5-9H2
InChIKeyPQCBHBFCOUZMMK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds5

About 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65497299) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65497299
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2COCCO2)CC1
InChIInChI=1S/C11H18N2O2/c12-4-3-11(1-2-11)9-13-7-10-8-14-5-6-15-10/h10,13H,1-3,5-9H2
InChIKeyPQCBHBFCOUZMMK-UHFFFAOYSA-N
XLogP0.69
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile (CID 65497299) is 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNCC2COCCO2)CC1.
What is the InChIKey of 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is PQCBHBFCOUZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-4-3-11(1-2-11)9-13-7-10-8-14-5-6-15-10/h10,13H,1-3,5-9H2.
What are the key properties of 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 210.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).