3-[methyl(pentan-3-yl)amino]pentanenitrile

C11H22N2 — CID 43571085

IUPAC3-[methyl(pentan-3-yl)amino]pentanenitrile
SMILESCCC(CC)N(C)C(CC)CC#N
InChIInChI=1S/C11H22N2/c1-5-10(6-2)13(4)11(7-3)8-9-12/h10-11H,5-8H2,1-4H3
InChIKeySJXWIFNEZUXNAH-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.80
Rot. Bonds6

About 3-[methyl(pentan-3-yl)amino]pentanenitrile

3-[methyl(pentan-3-yl)amino]pentanenitrile (PubChem CID 43571085) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[methyl(pentan-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[methyl(pentan-3-yl)amino]pentanenitrile
PubChem CID43571085
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-[methyl(pentan-3-yl)amino]pentanenitrile
SMILESCCC(CC)N(C)C(CC)CC#N
InChIInChI=1S/C11H22N2/c1-5-10(6-2)13(4)11(7-3)8-9-12/h10-11H,5-8H2,1-4H3
InChIKeySJXWIFNEZUXNAH-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
CID 61451674
3-[ethyl(propan-2-yl)amino]pentanenitrile
CID 43265764
3-[cyclopentyl(methyl)amino]pentanenitrile
CID 43267163
3-[azetidin-3-yl(methyl)amino]pentanenitrile
CID 66182687
methyl(pentan-3-yl)cyanamide
CID 87839420
3,4-bis[methyl(propan-2-yl)amino]butanenitrile
CID 177134525
methyl 3-[1-cyanobutan-2-yl(methyl)amino]propanoate
CID 62013597
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
3-(N-ethylanilino)pentanenitrile
CID 174634114
3-[1-methoxypropan-2-yl(methyl)amino]butanenitrile
CID 61451257
3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
CID 78974209
1-cyanobutan-2-ylazanium
CID 59058535

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-3-yl)amino]pentanenitrile?
The IUPAC name of 3-[methyl(pentan-3-yl)amino]pentanenitrile (CID 43571085) is 3-[methyl(pentan-3-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[methyl(pentan-3-yl)amino]pentanenitrile?
The canonical SMILES for 3-[methyl(pentan-3-yl)amino]pentanenitrile is CCC(CC)N(C)C(CC)CC#N.
What is the InChIKey of 3-[methyl(pentan-3-yl)amino]pentanenitrile?
The InChIKey is SJXWIFNEZUXNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-10(6-2)13(4)11(7-3)8-9-12/h10-11H,5-8H2,1-4H3.
What are the key properties of 3-[methyl(pentan-3-yl)amino]pentanenitrile?
3-[methyl(pentan-3-yl)amino]pentanenitrile has a molecular weight of 182.31 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 3-[methyl(pentan-3-yl)amino]pentanenitrile is sourced from PubChem (CID 43571085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).