2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile

C12H23N3O — CID 63029287

IUPAC2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
SMILESCCNC(C#N)CCN(C)CC1CCCO1
InChIInChI=1S/C12H23N3O/c1-3-14-11(9-13)6-7-15(2)10-12-5-4-8-16-12/h11-12,14H,3-8,10H2,1-2H3
InChIKeyMAOPPFDUMRTUPN-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.99
Rot. Bonds7

About 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile

2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile (PubChem CID 63029287) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
PubChem CID63029287
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
SMILESCCNC(C#N)CCN(C)CC1CCCO1
InChIInChI=1S/C12H23N3O/c1-3-14-11(9-13)6-7-15(2)10-12-5-4-8-16-12/h11-12,14H,3-8,10H2,1-2H3
InChIKeyMAOPPFDUMRTUPN-UHFFFAOYSA-N
XLogP0.99
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64825351
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane
CID 144600542
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile (CID 63029287) is 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile is CCNC(C#N)CCN(C)CC1CCCO1.
What is the InChIKey of 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile?
The InChIKey is MAOPPFDUMRTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-11(9-13)6-7-15(2)10-12-5-4-8-16-12/h11-12,14H,3-8,10H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile?
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile has a molecular weight of 225.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile is sourced from PubChem (CID 63029287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).