2-methyl-2-(2-methylpropylamino)pentanenitrile

C10H20N2 — CID 61004901

IUPAC2-methyl-2-(2-methylpropylamino)pentanenitrile
SMILESCCCC(C)(C#N)NCC(C)C
InChIInChI=1S/C10H20N2/c1-5-6-10(4,8-11)12-7-9(2)3/h9,12H,5-7H2,1-4H3
InChIKeyORIFZFCNHJYQQH-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-2-(2-methylpropylamino)pentanenitrile

2-methyl-2-(2-methylpropylamino)pentanenitrile (PubChem CID 61004901) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropylamino)pentanenitrile
PubChem CID61004901
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-2-(2-methylpropylamino)pentanenitrile
SMILESCCCC(C)(C#N)NCC(C)C
InChIInChI=1S/C10H20N2/c1-5-6-10(4,8-11)12-7-9(2)3/h9,12H,5-7H2,1-4H3
InChIKeyORIFZFCNHJYQQH-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-methyl-2-(2-methylpropylamino)pentanenitrile?
The IUPAC name of 2-methyl-2-(2-methylpropylamino)pentanenitrile (CID 61004901) is 2-methyl-2-(2-methylpropylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(2-methylpropylamino)pentanenitrile?
The canonical SMILES for 2-methyl-2-(2-methylpropylamino)pentanenitrile is CCCC(C)(C#N)NCC(C)C.
What is the InChIKey of 2-methyl-2-(2-methylpropylamino)pentanenitrile?
The InChIKey is ORIFZFCNHJYQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-10(4,8-11)12-7-9(2)3/h9,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methylpropylamino)pentanenitrile?
2-methyl-2-(2-methylpropylamino)pentanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropylamino)pentanenitrile is sourced from PubChem (CID 61004901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).