2-(tert-butylamino)-4-methylpentanenitrile

C10H20N2 — CID 20825462

IUPAC2-(tert-butylamino)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)NC(C)(C)C
InChIInChI=1S/C10H20N2/c1-8(2)6-9(7-11)12-10(3,4)5/h8-9,12H,6H2,1-5H3
InChIKeyRKVCFBAUNPROTG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.31
Rot. Bonds3

About 2-(tert-butylamino)-4-methylpentanenitrile

2-(tert-butylamino)-4-methylpentanenitrile (PubChem CID 20825462) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-4-methylpentanenitrile
PubChem CID20825462
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(tert-butylamino)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)NC(C)(C)C
InChIInChI=1S/C10H20N2/c1-8(2)6-9(7-11)12-10(3,4)5/h8-9,12H,6H2,1-5H3
InChIKeyRKVCFBAUNPROTG-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-methylpentanenitrile?
The IUPAC name of 2-(tert-butylamino)-4-methylpentanenitrile (CID 20825462) is 2-(tert-butylamino)-4-methylpentanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-4-methylpentanenitrile?
The canonical SMILES for 2-(tert-butylamino)-4-methylpentanenitrile is CC(C)CC(C#N)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4-methylpentanenitrile?
The InChIKey is RKVCFBAUNPROTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)6-9(7-11)12-10(3,4)5/h8-9,12H,6H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-4-methylpentanenitrile?
2-(tert-butylamino)-4-methylpentanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-methylpentanenitrile is sourced from PubChem (CID 20825462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).