6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile

C13H25N3O — CID 106713456

IUPAC6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN1CCOC(CN)C1
InChIInChI=1S/C13H25N3O/c1-13(2,11-15)5-3-4-6-16-7-8-17-12(9-14)10-16/h12H,3-10,14H2,1-2H3
InChIKeyUBSHEDNNIZZUQD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.37
Rot. Bonds6

About 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile

6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile (PubChem CID 106713456) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
PubChem CID106713456
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCN1CCOC(CN)C1
InChIInChI=1S/C13H25N3O/c1-13(2,11-15)5-3-4-6-16-7-8-17-12(9-14)10-16/h12H,3-10,14H2,1-2H3
InChIKeyUBSHEDNNIZZUQD-UHFFFAOYSA-N
XLogP1.37
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-Ethylmorpholin-2-yl)methylamino]methyl]pentanedinitrile
CID 53600795
2,2-Dimethyl-4-morpholin-2-ylbutanenitrile
CID 175333412
3-(2,6-Dimethylmorpholin-2-yl)propanenitrile
CID 21444268
5-[(4-Methylmorpholin-2-yl)methylamino]pentanenitrile
CID 53583490
N-ethyl-2-[(2-ethylmorpholin-4-yl)methyl]-2-methylpentan-1-amine
CID 55051391
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclopentyl]methyl]ethanamine
CID 55051419
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 55051756
2-Methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pentan-1-amine
CID 55056673
N-ethyl-4,4-dimethyl-1-(2-methylmorpholin-4-yl)pentan-3-amine
CID 55098713
3-(4-Tert-butylpiperidin-1-yl)-2-ethoxypropan-1-amine
CID 55146847
3-(8-Azaspiro[4.5]decan-8-yl)-2-ethoxypropan-1-amine
CID 55164486
2,6-Dimethyl-4-[(3-propylpyrrolidin-3-yl)methyl]morpholine
CID 55165932

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile (CID 106713456) is 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCN1CCOC(CN)C1.
What is the InChIKey of 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
The InChIKey is UBSHEDNNIZZUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,11-15)5-3-4-6-16-7-8-17-12(9-14)10-16/h12H,3-10,14H2,1-2H3.
What are the key properties of 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile?
6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106713456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).