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

C9H17N3 — CID 66182687

IUPAC3-[azetidin-3-yl(methyl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CNC1
InChIInChI=1S/C9H17N3/c1-3-8(4-5-10)12(2)9-6-11-7-9/h8-9,11H,3-4,6-7H2,1-2H3
InChIKeyAJGYRURWTAVXLJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.58
Rot. Bonds4

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

3-[azetidin-3-yl(methyl)amino]pentanenitrile (PubChem CID 66182687) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-[azetidin-3-yl(methyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[azetidin-3-yl(methyl)amino]pentanenitrile
PubChem CID66182687
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-[azetidin-3-yl(methyl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CNC1
InChIInChI=1S/C9H17N3/c1-3-8(4-5-10)12(2)9-6-11-7-9/h8-9,11H,3-4,6-7H2,1-2H3
InChIKeyAJGYRURWTAVXLJ-UHFFFAOYSA-N
XLogP0.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(methyl)amino]pentanenitrile
CID 43267163
3-[piperidin-3-yl(propyl)amino]pentanenitrile
CID 63636452
3-[methyl(pentan-3-yl)amino]pentanenitrile
CID 43571085
3-[piperidin-4-yl(propyl)amino]pentanenitrile
CID 60805985
N-methyl-N-(4-methylpentan-2-yl)azetidin-3-amine
CID 62784615
3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106638814
3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
CID 78974209
3-[ethyl(propan-2-yl)amino]pentanenitrile
CID 43265764
3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
CID 61451674
3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile
CID 123967797
3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
CID 55248926
N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79008172

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(methyl)amino]pentanenitrile?
The IUPAC name of 3-[azetidin-3-yl(methyl)amino]pentanenitrile (CID 66182687) is 3-[azetidin-3-yl(methyl)amino]pentanenitrile.
What is the SMILES notation for 3-[azetidin-3-yl(methyl)amino]pentanenitrile?
The canonical SMILES for 3-[azetidin-3-yl(methyl)amino]pentanenitrile is CCC(CC#N)N(C)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(methyl)amino]pentanenitrile?
The InChIKey is AJGYRURWTAVXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(4-5-10)12(2)9-6-11-7-9/h8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[azetidin-3-yl(methyl)amino]pentanenitrile?
3-[azetidin-3-yl(methyl)amino]pentanenitrile has a molecular weight of 167.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(methyl)amino]pentanenitrile is sourced from PubChem (CID 66182687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).