N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine

C9H19N3 — CID 123243004

IUPACN-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine
SMILESC/N=C/CCN1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h4H,3,5-9H2,1-2H3/b10-4+
InChIKeyGDVDDCBNRBRTTL-ONNFQVAWSA-N
MW169.27 g/mol
LogP0.32
Rot. Bonds3

About N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine

N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine (PubChem CID 123243004) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine
PubChem CID123243004
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine
SMILESC/N=C/CCN1CCN(C)CC1
InChIInChI=1S/C9H19N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h4H,3,5-9H2,1-2H3/b10-4+
InChIKeyGDVDDCBNRBRTTL-ONNFQVAWSA-N
XLogP0.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.32
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 N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine (CID 123243004) is N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine is C/N=C/CCN1CCN(C)CC1.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine?
The InChIKey is GDVDDCBNRBRTTL-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H19N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h4H,3,5-9H2,1-2H3/b10-4+.
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine?
N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine has a molecular weight of 169.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 123243004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).