3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile

C9H17FN2 — CID 81105423

IUPAC3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
SMILESCCN(CCCF)CC(C)C#N
InChIInChI=1S/C9H17FN2/c1-3-12(6-4-5-10)8-9(2)7-11/h9H,3-6,8H2,1-2H3
InChIKeyTVADNDXVROCIOW-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.83
Rot. Bonds6

About 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile

3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile (PubChem CID 81105423) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
PubChem CID81105423
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
SMILESCCN(CCCF)CC(C)C#N
InChIInChI=1S/C9H17FN2/c1-3-12(6-4-5-10)8-9(2)7-11/h9H,3-6,8H2,1-2H3
InChIKeyTVADNDXVROCIOW-UHFFFAOYSA-N
XLogP1.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile
CID 78987351
3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
CID 102562528
3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
CID 63310593
3-fluoro-N,N-dipropylpropan-1-amine
CID 87847848
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
3-[[2-(bromomethyl)-2-ethylbutyl]-ethylamino]-2-methylpropanenitrile
CID 65003883
3-[ethyl-(2-hydroxy-2,3-dimethylbutyl)amino]-2-methylpropanenitrile
CID 114448919
5-(dipropylamino)-2-methylpentanenitrile
CID 143685466

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile (CID 81105423) is 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile is CCN(CCCF)CC(C)C#N.
What is the InChIKey of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile?
The InChIKey is TVADNDXVROCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-3-12(6-4-5-10)8-9(2)7-11/h9H,3-6,8H2,1-2H3.
What are the key properties of 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile?
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile has a molecular weight of 172.25 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 81105423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).