2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile

C15H26N4 — CID 63912068

IUPAC2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCN(C2CC2)CC1)C1CC1
InChIInChI=1S/C15H26N4/c1-2-17-15(11-16,13-3-4-13)12-18-7-9-19(10-8-18)14-5-6-14/h13-14,17H,2-10,12H2,1H3
InChIKeyNCWBKVPEVLMIDV-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.05
Rot. Bonds6

About 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile (PubChem CID 63912068) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
PubChem CID63912068
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCN(C2CC2)CC1)C1CC1
InChIInChI=1S/C15H26N4/c1-2-17-15(11-16,13-3-4-13)12-18-7-9-19(10-8-18)14-5-6-14/h13-14,17H,2-10,12H2,1H3
InChIKeyNCWBKVPEVLMIDV-UHFFFAOYSA-N
XLogP1.05
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile (CID 63912068) is 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile is CCNC(C#N)(CN1CCN(C2CC2)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
The InChIKey is NCWBKVPEVLMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-17-15(11-16,13-3-4-13)12-18-7-9-19(10-8-18)14-5-6-14/h13-14,17H,2-10,12H2,1H3.
What are the key properties of 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile has a molecular weight of 262.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63912068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).