3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile

C11H16N2O — CID 61423405

IUPAC3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(Cc1ccco1)CC(C)C#N
InChIInChI=1S/C11H16N2O/c1-3-13(8-10(2)7-12)9-11-5-4-6-14-11/h4-6,10H,3,8-9H2,1-2H3
InChIKeyMLZRTQVQTAWIRI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.26
Rot. Bonds5

About 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile

3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile (PubChem CID 61423405) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
PubChem CID61423405
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(Cc1ccco1)CC(C)C#N
InChIInChI=1S/C11H16N2O/c1-3-13(8-10(2)7-12)9-11-5-4-6-14-11/h4-6,10H,3,8-9H2,1-2H3
InChIKeyMLZRTQVQTAWIRI-UHFFFAOYSA-N
XLogP2.26
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61423306
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 63069854
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
2-[[2-cyanopropyl(ethyl)amino]methyl]furan-3-carbohydrazide
CID 63583704

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile (CID 61423405) is 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile is CCN(Cc1ccco1)CC(C)C#N.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile?
The InChIKey is MLZRTQVQTAWIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13(8-10(2)7-12)9-11-5-4-6-14-11/h4-6,10H,3,8-9H2,1-2H3.
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile?
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile has a molecular weight of 192.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61423405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).