2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile

C18H25N3 — CID 63914454

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile
SMILESCc1cc(C)cc(N(C)CC(C#N)(NC2CC2)C2CC2)c1
InChIInChI=1S/C18H25N3/c1-13-8-14(2)10-17(9-13)21(3)12-18(11-19,15-4-5-15)20-16-6-7-16/h8-10,15-16,20H,4-7,12H2,1-3H3
InChIKeyYIOKXNGEYQKXRY-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.16
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile (PubChem CID 63914454) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile
PubChem CID63914454
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile
SMILESCc1cc(C)cc(N(C)CC(C#N)(NC2CC2)C2CC2)c1
InChIInChI=1S/C18H25N3/c1-13-8-14(2)10-17(9-13)21(3)12-18(11-19,15-4-5-15)20-16-6-7-16/h8-10,15-16,20H,4-7,12H2,1-3H3
InChIKeyYIOKXNGEYQKXRY-UHFFFAOYSA-N
XLogP3.16
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile (CID 63914454) is 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile is Cc1cc(C)cc(N(C)CC(C#N)(NC2CC2)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile?
The InChIKey is YIOKXNGEYQKXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-8-14(2)10-17(9-13)21(3)12-18(11-19,15-4-5-15)20-16-6-7-16/h8-10,15-16,20H,4-7,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile has a molecular weight of 283.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile is sourced from PubChem (CID 63914454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).