2-[[methyl(propan-2-yl)amino]methyl]butanenitrile

C9H18N2 — CID 115253600

IUPAC2-[[methyl(propan-2-yl)amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)C(C)C
InChIInChI=1S/C9H18N2/c1-5-9(6-10)7-11(4)8(2)3/h8-9H,5,7H2,1-4H3
InChIKeyWPNVOVDKEVIECK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds4

About 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile

2-[[methyl(propan-2-yl)amino]methyl]butanenitrile (PubChem CID 115253600) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)amino]methyl]butanenitrile
PubChem CID115253600
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[[methyl(propan-2-yl)amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)C(C)C
InChIInChI=1S/C9H18N2/c1-5-9(6-10)7-11(4)8(2)3/h8-9H,5,7H2,1-4H3
InChIKeyWPNVOVDKEVIECK-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile?
The IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile (CID 115253600) is 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile.
What is the SMILES notation for 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile?
The canonical SMILES for 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile is CCC(C#N)CN(C)C(C)C.
What is the InChIKey of 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile?
The InChIKey is WPNVOVDKEVIECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(6-10)7-11(4)8(2)3/h8-9H,5,7H2,1-4H3.
What are the key properties of 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile?
2-[[methyl(propan-2-yl)amino]methyl]butanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)amino]methyl]butanenitrile is sourced from PubChem (CID 115253600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).