4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile

C17H32N4 — CID 64726696

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H32N4/c1-14(12-17(5,13-18)19-15-6-7-15)20-8-10-21(11-9-20)16(2,3)4/h14-15,19H,6-12H2,1-5H3
InChIKeyKTJFLADIONBBCX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds5

About 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile

4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile (PubChem CID 64726696) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
PubChem CID64726696
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H32N4/c1-14(12-17(5,13-18)19-15-6-7-15)20-8-10-21(11-9-20)16(2,3)4/h14-15,19H,6-12H2,1-5H3
InChIKeyKTJFLADIONBBCX-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile (CID 64726696) is 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile is CC(CC(C)(C#N)NC1CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile?
The InChIKey is KTJFLADIONBBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(12-17(5,13-18)19-15-6-7-15)20-8-10-21(11-9-20)16(2,3)4/h14-15,19H,6-12H2,1-5H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile?
4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64726696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).