3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile

C8H17N3 — CID 130588939

IUPAC3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNCC(C)(C)N
InChIInChI=1S/C8H17N3/c1-7(4-9)5-11-6-8(2,3)10/h7,11H,5-6,10H2,1-3H3
InChIKeyQALDKBVPHULWBZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.47
Rot. Bonds4

About 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile

3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile (PubChem CID 130588939) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
PubChem CID130588939
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNCC(C)(C)N
InChIInChI=1S/C8H17N3/c1-7(4-9)5-11-6-8(2,3)10/h7,11H,5-6,10H2,1-3H3
InChIKeyQALDKBVPHULWBZ-UHFFFAOYSA-N
XLogP0.47
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethylamino)-2-methylpropanenitrile
CID 43389830
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
CID 147358419
3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
CID 65266802
2-methyl-3-(2-methylsulfonylethylamino)propanenitrile
CID 60918811
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
3-[(4-tert-butylcyclohexyl)methylamino]-2-methylpropanenitrile
CID 113428492
2-methyl-3-(octadecylamino)propanenitrile
CID 21406116
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
N-(2-cyanopropyl)nitrous amide
CID 169495087
2-methyl-3-(thiolan-2-ylmethylamino)propanenitrile
CID 80585360
3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
CID 64910976
2-methyl-3-[(4-methylcyclohexyl)methylamino]propanenitrile
CID 63243535

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile (CID 130588939) is 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile is CC(C#N)CNCC(C)(C)N.
What is the InChIKey of 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile?
The InChIKey is QALDKBVPHULWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(4-9)5-11-6-8(2,3)10/h7,11H,5-6,10H2,1-3H3.
What are the key properties of 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile?
3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile has a molecular weight of 155.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 130588939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).