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

C11H15F3N2 — CID 103367931

IUPAC2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN(CC1CC1)C1CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9(5-15)7-16(10-3-4-10)6-8-1-2-8/h8-10H,1-4,6-7H2
InChIKeyPMLRJBPAPWMCEE-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.56
Rot. Bonds5

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

2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367931) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367931
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN(CC1CC1)C1CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9(5-15)7-16(10-3-4-10)6-8-1-2-8/h8-10H,1-4,6-7H2
InChIKeyPMLRJBPAPWMCEE-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 61586847
3-[Cyclopropyl(2,2-difluoroethyl)amino]propanenitrile
CID 61587232
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 61606066
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpropanenitrile
CID 61606167
3-[Cyclopropyl(3,3,3-trifluoropropyl)amino]propanenitrile
CID 64555031
2-[[Cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367700
2-[[Cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367701
2-[[Cyclopropyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367707
2-[[1-Cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367729
2-[[Cyclopropylmethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367749
2-[[Butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367786
2-[[2-Cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367822

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367931) is 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is N#CC(CN(CC1CC1)C1CC1)C(F)(F)F.
What is the InChIKey of 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is PMLRJBPAPWMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)9(5-15)7-16(10-3-4-10)6-8-1-2-8/h8-10H,1-4,6-7H2.
What are the key properties of 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 232.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).