3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile

C10H18N2 — CID 43270381

IUPAC3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile
SMILESCCCN(CC(C)C#N)C1CC1
InChIInChI=1S/C10H18N2/c1-3-6-12(10-4-5-10)8-9(2)7-11/h9-10H,3-6,8H2,1-2H3
InChIKeyMLQNVMOCBKPUMA-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds5

About 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile

3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile (PubChem CID 43270381) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile
PubChem CID43270381
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile
SMILESCCCN(CC(C)C#N)C1CC1
InChIInChI=1S/C10H18N2/c1-3-6-12(10-4-5-10)8-9(2)7-11/h9-10H,3-6,8H2,1-2H3
InChIKeyMLQNVMOCBKPUMA-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile (CID 43270381) is 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile is CCCN(CC(C)C#N)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile?
The InChIKey is MLQNVMOCBKPUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-6-12(10-4-5-10)8-9(2)7-11/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile?
3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 43270381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).