3-[(2-methylcyclopropyl)amino]butanenitrile

C8H14N2 — CID 62397925

IUPAC3-[(2-methylcyclopropyl)amino]butanenitrile
SMILESCC(CC#N)NC1CC1C
InChIInChI=1S/C8H14N2/c1-6-5-8(6)10-7(2)3-4-9/h6-8,10H,3,5H2,1-2H3
InChIKeySVLIUHUGBHDJCJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds3

About 3-[(2-methylcyclopropyl)amino]butanenitrile

3-[(2-methylcyclopropyl)amino]butanenitrile (PubChem CID 62397925) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-[(2-methylcyclopropyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[(2-methylcyclopropyl)amino]butanenitrile
PubChem CID62397925
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-[(2-methylcyclopropyl)amino]butanenitrile
SMILESCC(CC#N)NC1CC1C
InChIInChI=1S/C8H14N2/c1-6-5-8(6)10-7(2)3-4-9/h6-8,10H,3,5H2,1-2H3
InChIKeySVLIUHUGBHDJCJ-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropyl)amino]butanenitrile?
The IUPAC name of 3-[(2-methylcyclopropyl)amino]butanenitrile (CID 62397925) is 3-[(2-methylcyclopropyl)amino]butanenitrile.
What is the SMILES notation for 3-[(2-methylcyclopropyl)amino]butanenitrile?
The canonical SMILES for 3-[(2-methylcyclopropyl)amino]butanenitrile is CC(CC#N)NC1CC1C.
What is the InChIKey of 3-[(2-methylcyclopropyl)amino]butanenitrile?
The InChIKey is SVLIUHUGBHDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-5-8(6)10-7(2)3-4-9/h6-8,10H,3,5H2,1-2H3.
What are the key properties of 3-[(2-methylcyclopropyl)amino]butanenitrile?
3-[(2-methylcyclopropyl)amino]butanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropyl)amino]butanenitrile is sourced from PubChem (CID 62397925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).