(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine

C11H21N3 — CID 139552224

IUPAC(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/N1CCN(C2CC2)CC1
InChIInChI=1S/C11H21N3/c1-10(2)9-12-14-7-5-13(6-8-14)11-3-4-11/h9-11H,3-8H2,1-2H3/b12-9+
InChIKeyHBXXYZPGKUZNCE-FMIVXFBMSA-N
MW195.31 g/mol
LogP1.41
Rot. Bonds3

About (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine

(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine (PubChem CID 139552224) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine
PubChem CID139552224
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/N1CCN(C2CC2)CC1
InChIInChI=1S/C11H21N3/c1-10(2)9-12-14-7-5-13(6-8-14)11-3-4-11/h9-11H,3-8H2,1-2H3/b12-9+
InChIKeyHBXXYZPGKUZNCE-FMIVXFBMSA-N
XLogP1.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine (CID 139552224) is (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine is CC(C)/C=N/N1CCN(C2CC2)CC1.
What is the InChIKey of (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine?
The InChIKey is HBXXYZPGKUZNCE-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)9-12-14-7-5-13(6-8-14)11-3-4-11/h9-11H,3-8H2,1-2H3/b12-9+.
What are the key properties of (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine?
(E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine has a molecular weight of 195.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 139552224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).