3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile

C14H28N2 — CID 104720352

IUPAC3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)CC(CC(C)C)NCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-11(2)7-13(8-12(3)4)16-10-14(5,6)9-15/h11-13,16H,7-8,10H2,1-6H3
InChIKeyPSLFZDAKXJGZCZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.59
Rot. Bonds7

About 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile

3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile (PubChem CID 104720352) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile
PubChem CID104720352
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)CC(CC(C)C)NCC(C)(C)C#N
InChIInChI=1S/C14H28N2/c1-11(2)7-13(8-12(3)4)16-10-14(5,6)9-15/h11-13,16H,7-8,10H2,1-6H3
InChIKeyPSLFZDAKXJGZCZ-UHFFFAOYSA-N
XLogP3.59
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile (CID 104720352) is 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile is CC(C)CC(CC(C)C)NCC(C)(C)C#N.
What is the InChIKey of 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile?
The InChIKey is PSLFZDAKXJGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)7-13(8-12(3)4)16-10-14(5,6)9-15/h11-13,16H,7-8,10H2,1-6H3.
What are the key properties of 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile?
3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylheptan-4-ylamino)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 104720352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).