N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine

C15H31N3O — CID 103226330

IUPACN-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)11-17-6-8-18(9-7-17)15(12-19-3)10-16-14-4-5-14/h13-16H,4-12H2,1-3H3
InChIKeyNQGFLECJUZJIPI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds8

About N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine

N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine (PubChem CID 103226330) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine
PubChem CID103226330
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)11-17-6-8-18(9-7-17)15(12-19-3)10-16-14-4-5-14/h13-16H,4-12H2,1-3H3
InChIKeyNQGFLECJUZJIPI-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine (CID 103226330) is N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine is COCC(CNC1CC1)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine?
The InChIKey is NQGFLECJUZJIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)11-17-6-8-18(9-7-17)15(12-19-3)10-16-14-4-5-14/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine?
N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]cyclopropanamine is sourced from PubChem (CID 103226330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).