2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile

C10H19N3O — CID 82748975

IUPAC2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile
SMILESCCNC(C#N)CN(C)C1CCOC1
InChIInChI=1S/C10H19N3O/c1-3-12-9(6-11)7-13(2)10-4-5-14-8-10/h9-10,12H,3-5,7-8H2,1-2H3
InChIKeyUZQFNNJTKOOXJM-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds5

About 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile

2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile (PubChem CID 82748975) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile
PubChem CID82748975
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile
SMILESCCNC(C#N)CN(C)C1CCOC1
InChIInChI=1S/C10H19N3O/c1-3-12-9(6-11)7-13(2)10-4-5-14-8-10/h9-10,12H,3-5,7-8H2,1-2H3
InChIKeyUZQFNNJTKOOXJM-UHFFFAOYSA-N
XLogP0.21
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82738157
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
1-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748731
3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
CID 63557953
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile?
The IUPAC name of 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile (CID 82748975) is 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile?
The canonical SMILES for 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile is CCNC(C#N)CN(C)C1CCOC1.
What is the InChIKey of 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile?
The InChIKey is UZQFNNJTKOOXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-12-9(6-11)7-13(2)10-4-5-14-8-10/h9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile?
2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile has a molecular weight of 197.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile is sourced from PubChem (CID 82748975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).