3-[methyl-(1-methylcyclopropyl)amino]propanenitrile

C8H14N2 — CID 89338946

IUPAC3-[methyl-(1-methylcyclopropyl)amino]propanenitrile
SMILESCN(CCC#N)C1(C)CC1
InChIInChI=1S/C8H14N2/c1-8(4-5-8)10(2)7-3-6-9/h3-5,7H2,1-2H3
InChIKeyKCTBPZPZUANWCM-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.38
Rot. Bonds3

About 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile

3-[methyl-(1-methylcyclopropyl)amino]propanenitrile (PubChem CID 89338946) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(1-methylcyclopropyl)amino]propanenitrile
PubChem CID89338946
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-[methyl-(1-methylcyclopropyl)amino]propanenitrile
SMILESCN(CCC#N)C1(C)CC1
InChIInChI=1S/C8H14N2/c1-8(4-5-8)10(2)7-3-6-9/h3-5,7H2,1-2H3
InChIKeyKCTBPZPZUANWCM-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile (CID 89338946) is 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile is CN(CCC#N)C1(C)CC1.
What is the InChIKey of 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile?
The InChIKey is KCTBPZPZUANWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(4-5-8)10(2)7-3-6-9/h3-5,7H2,1-2H3.
What are the key properties of 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile?
3-[methyl-(1-methylcyclopropyl)amino]propanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylcyclopropyl)amino]propanenitrile is sourced from PubChem (CID 89338946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).