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

C11H20N2 — CID 60647765

IUPAC3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile
SMILESCCCN(CC(C)C#N)CC1CC1
InChIInChI=1S/C11H20N2/c1-3-6-13(8-10(2)7-12)9-11-4-5-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyMXDMZTWWGPMEPW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.27
Rot. Bonds6

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

3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile (PubChem CID 60647765) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile
PubChem CID60647765
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile
SMILESCCCN(CC(C)C#N)CC1CC1
InChIInChI=1S/C11H20N2/c1-3-6-13(8-10(2)7-12)9-11-4-5-11/h10-11H,3-6,8-9H2,1-2H3
InChIKeyMXDMZTWWGPMEPW-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile (CID 60647765) is 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile is CCCN(CC(C)C#N)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile?
The InChIKey is MXDMZTWWGPMEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-6-13(8-10(2)7-12)9-11-4-5-11/h10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile?
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 60647765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).