2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile

C17H25N3O — CID 116692484

IUPAC2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
SMILESCCN(CCC(N)(C#N)c1ccccc1)CC1CCCO1
InChIInChI=1S/C17H25N3O/c1-2-20(13-16-9-6-12-21-16)11-10-17(19,14-18)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-13,19H2,1H3
InChIKeyJCTMPGJVUDHRFM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.26
Rot. Bonds7

About 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile

2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile (PubChem CID 116692484) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
PubChem CID116692484
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
SMILESCCN(CCC(N)(C#N)c1ccccc1)CC1CCCO1
InChIInChI=1S/C17H25N3O/c1-2-20(13-16-9-6-12-21-16)11-10-17(19,14-18)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-13,19H2,1H3
InChIKeyJCTMPGJVUDHRFM-UHFFFAOYSA-N
XLogP2.26
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
CID 116692825
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61434361
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile (CID 116692484) is 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile is CCN(CCC(N)(C#N)c1ccccc1)CC1CCCO1.
What is the InChIKey of 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile?
The InChIKey is JCTMPGJVUDHRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-20(13-16-9-6-12-21-16)11-10-17(19,14-18)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-13,19H2,1H3.
What are the key properties of 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile?
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile has a molecular weight of 287.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).