3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile

C13H24N2 — CID 78974209

IUPAC3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
SMILESCCC(CC#N)N(CCC(C)C)C1CC1
InChIInChI=1S/C13H24N2/c1-4-12(7-9-14)15(13-5-6-13)10-8-11(2)3/h11-13H,4-8,10H2,1-3H3
InChIKeyKJBFWANZUSMNJP-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.19
Rot. Bonds7

About 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile

3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile (PubChem CID 78974209) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
PubChem CID78974209
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
SMILESCCC(CC#N)N(CCC(C)C)C1CC1
InChIInChI=1S/C13H24N2/c1-4-12(7-9-14)15(13-5-6-13)10-8-11(2)3/h11-13H,4-8,10H2,1-3H3
InChIKeyKJBFWANZUSMNJP-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile (CID 78974209) is 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile is CCC(CC#N)N(CCC(C)C)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile?
The InChIKey is KJBFWANZUSMNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-12(7-9-14)15(13-5-6-13)10-8-11(2)3/h11-13H,4-8,10H2,1-3H3.
What are the key properties of 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile?
3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile is sourced from PubChem (CID 78974209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).