2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile

C15H26N4 — CID 106709427

IUPAC2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
SMILESCc1nn(C)c(C)c1CNCCCCC(C)(C)C#N
InChIInChI=1S/C15H26N4/c1-12-14(13(2)19(5)18-12)10-17-9-7-6-8-15(3,4)11-16/h17H,6-10H2,1-5H3
InChIKeyRHXXOMISYWWKEA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds7

About 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile

2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile (PubChem CID 106709427) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
PubChem CID106709427
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
SMILESCc1nn(C)c(C)c1CNCCCCC(C)(C)C#N
InChIInChI=1S/C15H26N4/c1-12-14(13(2)19(5)18-12)10-17-9-7-6-8-15(3,4)11-16/h17H,6-10H2,1-5H3
InChIKeyRHXXOMISYWWKEA-UHFFFAOYSA-N
XLogP2.85
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
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

3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
CID 78993034
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734
N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide
CID 79242381
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile (CID 106709427) is 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile is Cc1nn(C)c(C)c1CNCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile?
The InChIKey is RHXXOMISYWWKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-14(13(2)19(5)18-12)10-17-9-7-6-8-15(3,4)11-16/h17H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile?
2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile has a molecular weight of 262.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile is sourced from PubChem (CID 106709427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).