2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile

C10H18N2O2 — CID 65496474

IUPAC2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCOCCO)CC1
InChIInChI=1S/C10H18N2O2/c11-4-3-10(1-2-10)9-12-5-7-14-8-6-13/h12-13H,1-3,5-9H2
InChIKeyKRDBPMKQZCKDER-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds8

About 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65496474) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65496474
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCOCCO)CC1
InChIInChI=1S/C10H18N2O2/c11-4-3-10(1-2-10)9-12-5-7-14-8-6-13/h12-13H,1-3,5-9H2
InChIKeyKRDBPMKQZCKDER-UHFFFAOYSA-N
XLogP0.28
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile (CID 65496474) is 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCCOCCO)CC1.
What is the InChIKey of 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is KRDBPMKQZCKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-4-3-10(1-2-10)9-12-5-7-14-8-6-13/h12-13H,1-3,5-9H2.
What are the key properties of 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 198.27 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-hydroxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).