2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile

C10H18N2O2 — CID 65496065

IUPAC2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCOCC(O)CNCC1(CC#N)CC1
InChIInChI=1S/C10H18N2O2/c1-14-7-9(13)6-12-8-10(2-3-10)4-5-11/h9,12-13H,2-4,6-8H2,1H3
InChIKeyZLMLSKQFAWZTHR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds7

About 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65496065) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65496065
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCOCC(O)CNCC1(CC#N)CC1
InChIInChI=1S/C10H18N2O2/c1-14-7-9(13)6-12-8-10(2-3-10)4-5-11/h9,12-13H,2-4,6-8H2,1H3
InChIKeyZLMLSKQFAWZTHR-UHFFFAOYSA-N
XLogP0.28
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile (CID 65496065) is 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile is COCC(O)CNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is ZLMLSKQFAWZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-7-9(13)6-12-8-10(2-3-10)4-5-11/h9,12-13H,2-4,6-8H2,1H3.
What are the key properties of 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 198.27 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).