3-[cyclopropylmethyl(methyl)amino]propanenitrile

C8H14N2 — CID 43560376

IUPAC3-[cyclopropylmethyl(methyl)amino]propanenitrile
SMILESCN(CCC#N)CC1CC1
InChIInChI=1S/C8H14N2/c1-10(6-2-5-9)7-8-3-4-8/h8H,2-4,6-7H2,1H3
InChIKeyQHEHPCYUWUYSNQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds4

About 3-[cyclopropylmethyl(methyl)amino]propanenitrile

3-[cyclopropylmethyl(methyl)amino]propanenitrile (PubChem CID 43560376) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]propanenitrile
PubChem CID43560376
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-[cyclopropylmethyl(methyl)amino]propanenitrile
SMILESCN(CCC#N)CC1CC1
InChIInChI=1S/C8H14N2/c1-10(6-2-5-9)7-8-3-4-8/h8H,2-4,6-7H2,1H3
InChIKeyQHEHPCYUWUYSNQ-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]propanenitrile (CID 43560376) is 3-[cyclopropylmethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]propanenitrile is CN(CCC#N)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]propanenitrile?
The InChIKey is QHEHPCYUWUYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10(6-2-5-9)7-8-3-4-8/h8H,2-4,6-7H2,1H3.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]propanenitrile?
3-[cyclopropylmethyl(methyl)amino]propanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 43560376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).