2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile

C15H27N3O — CID 63713353

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
SMILESCN(CCC(C)(C#N)NC1CC1)CC1CCOCC1
InChIInChI=1S/C15H27N3O/c1-15(12-16,17-14-3-4-14)7-8-18(2)11-13-5-9-19-10-6-13/h13-14,17H,3-11H2,1-2H3
InChIKeyUBOYXIDMJDULGQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.77
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile

2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile (PubChem CID 63713353) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
PubChem CID63713353
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
SMILESCN(CCC(C)(C#N)NC1CC1)CC1CCOCC1
InChIInChI=1S/C15H27N3O/c1-15(12-16,17-14-3-4-14)7-8-18(2)11-13-5-9-19-10-6-13/h13-14,17H,3-11H2,1-2H3
InChIKeyUBOYXIDMJDULGQ-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596
2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
CID 63236655
2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
CID 63698921
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile
CID 82749204
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile (CID 63713353) is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile is CN(CCC(C)(C#N)NC1CC1)CC1CCOCC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile?
The InChIKey is UBOYXIDMJDULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(12-16,17-14-3-4-14)7-8-18(2)11-13-5-9-19-10-6-13/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile?
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile is sourced from PubChem (CID 63713353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).