2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C11H17F3N2 — CID 103367786

IUPAC2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2/c1-2-3-6-16(10-4-5-10)8-9(7-15)11(12,13)14/h9-10H,2-6,8H2,1H3
InChIKeyQPYAYYZCDNHFIQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.95
Rot. Bonds6

About 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367786) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367786
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2/c1-2-3-6-16(10-4-5-10)8-9(7-15)11(12,13)14/h9-10H,2-6,8H2,1H3
InChIKeyQPYAYYZCDNHFIQ-UHFFFAOYSA-N
XLogP2.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367786) is 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCCCN(CC(C#N)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is QPYAYYZCDNHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-2-3-6-16(10-4-5-10)8-9(7-15)11(12,13)14/h9-10H,2-6,8H2,1H3.
What are the key properties of 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 234.26 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).