2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile

C11H18N2O — CID 65495845

IUPAC2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC(O)C2CC2)CC1
InChIInChI=1S/C11H18N2O/c12-6-5-11(3-4-11)8-13-7-10(14)9-1-2-9/h9-10,13-14H,1-5,7-8H2
InChIKeyZLWOYYGNLJJOMS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds6

About 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65495845) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65495845
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC(O)C2CC2)CC1
InChIInChI=1S/C11H18N2O/c12-6-5-11(3-4-11)8-13-7-10(14)9-1-2-9/h9-10,13-14H,1-5,7-8H2
InChIKeyZLWOYYGNLJJOMS-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile (CID 65495845) is 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCC(O)C2CC2)CC1.
What is the InChIKey of 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is ZLWOYYGNLJJOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-6-5-11(3-4-11)8-13-7-10(14)9-1-2-9/h9-10,13-14H,1-5,7-8H2.
What are the key properties of 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).