2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile

C11H20F3N3 — CID 103367206

IUPAC2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC)CC(C)NCC(C#N)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-4-17(5-2)8-9(3)16-7-10(6-15)11(12,13)14/h9-10,16H,4-5,7-8H2,1-3H3
InChIKeyXWMDAVZFVQFRIK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.01
Rot. Bonds7

About 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile

2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367206) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367206
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC)CC(C)NCC(C#N)C(F)(F)F
InChIInChI=1S/C11H20F3N3/c1-4-17(5-2)8-9(3)16-7-10(6-15)11(12,13)14/h9-10,16H,4-5,7-8H2,1-3H3
InChIKeyXWMDAVZFVQFRIK-UHFFFAOYSA-N
XLogP2.01
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369820
3,3,3-trifluoro-2-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]propanenitrile
CID 103367260
3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]propanenitrile
CID 103367211
3,3,3-trifluoro-2-[(pent-1-yn-3-ylamino)methyl]propanenitrile
CID 106229423
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
CID 103367792
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
3,3,3-trifluoro-2-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]propanenitrile
CID 103367626
N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide
CID 103367511
3,3,3-trifluoro-2-[(5-methylhexylamino)methyl]propanenitrile
CID 103367461
4-[1-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]benzonitrile
CID 103367077

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367206) is 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile is CCN(CC)CC(C)NCC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is XWMDAVZFVQFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-4-17(5-2)8-9(3)16-7-10(6-15)11(12,13)14/h9-10,16H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 251.30 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).