2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile

C12H23N3O — CID 63711953

IUPAC2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
SMILESCN(CCC(C)(N)C#N)CC1CCCOC1
InChIInChI=1S/C12H23N3O/c1-12(14,10-13)5-6-15(2)8-11-4-3-7-16-9-11/h11H,3-9,14H2,1-2H3
InChIKeyCKVXESQJMNFFCI-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile

2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile (PubChem CID 63711953) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
PubChem CID63711953
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
SMILESCN(CCC(C)(N)C#N)CC1CCCOC1
InChIInChI=1S/C12H23N3O/c1-12(14,10-13)5-6-15(2)8-11-4-3-7-16-9-11/h11H,3-9,14H2,1-2H3
InChIKeyCKVXESQJMNFFCI-UHFFFAOYSA-N
XLogP0.98
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile (CID 63711953) is 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile is CN(CCC(C)(N)C#N)CC1CCCOC1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
The InChIKey is CKVXESQJMNFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(14,10-13)5-6-15(2)8-11-4-3-7-16-9-11/h11H,3-9,14H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile has a molecular weight of 225.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile is sourced from PubChem (CID 63711953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).