4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile

C14H20N2O — CID 65251772

IUPAC4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)7-8-16(12-5-6-12)10-13-4-3-9-17-13/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyBCWGOWASXYOLFA-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.18
Rot. Bonds6

About 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile

4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 65251772) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
PubChem CID65251772
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)7-8-16(12-5-6-12)10-13-4-3-9-17-13/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyBCWGOWASXYOLFA-UHFFFAOYSA-N
XLogP3.18
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile (CID 65251772) is 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN(Cc1ccco1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is BCWGOWASXYOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,11-15)7-8-16(12-5-6-12)10-13-4-3-9-17-13/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile?
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile has a molecular weight of 232.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).