3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile

C11H23N3 — CID 78987351

IUPAC3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC(C)(C)CN
InChIInChI=1S/C11H23N3/c1-5-14(7-10(2)6-12)9-11(3,4)8-13/h10H,5,7-9,13H2,1-4H3
InChIKeySUOJCCUKCJMFFO-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.45
Rot. Bonds6

About 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile

3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 78987351) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile
PubChem CID78987351
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC(C)(C)CN
InChIInChI=1S/C11H23N3/c1-5-14(7-10(2)6-12)9-11(3,4)8-13/h10H,5,7-9,13H2,1-4H3
InChIKeySUOJCCUKCJMFFO-UHFFFAOYSA-N
XLogP1.45
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile (CID 78987351) is 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)CC(C)(C)CN.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is SUOJCCUKCJMFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-14(7-10(2)6-12)9-11(3,4)8-13/h10H,5,7-9,13H2,1-4H3.
What are the key properties of 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile?
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 197.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 78987351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).