2-[cyclopropyl(3-methylbutyl)amino]butanenitrile

C12H22N2 — CID 78975307

IUPAC2-[cyclopropyl(3-methylbutyl)amino]butanenitrile
SMILESCCC(C#N)N(CCC(C)C)C1CC1
InChIInChI=1S/C12H22N2/c1-4-11(9-13)14(12-5-6-12)8-7-10(2)3/h10-12H,4-8H2,1-3H3
InChIKeyBPXXMVUTDYPWCL-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds6

About 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile

2-[cyclopropyl(3-methylbutyl)amino]butanenitrile (PubChem CID 78975307) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]butanenitrile
PubChem CID78975307
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]butanenitrile
SMILESCCC(C#N)N(CCC(C)C)C1CC1
InChIInChI=1S/C12H22N2/c1-4-11(9-13)14(12-5-6-12)8-7-10(2)3/h10-12H,4-8H2,1-3H3
InChIKeyBPXXMVUTDYPWCL-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile (CID 78975307) is 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile is CCC(C#N)N(CCC(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile?
The InChIKey is BPXXMVUTDYPWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11(9-13)14(12-5-6-12)8-7-10(2)3/h10-12H,4-8H2,1-3H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile?
2-[cyclopropyl(3-methylbutyl)amino]butanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]butanenitrile is sourced from PubChem (CID 78975307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).