N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine

C12H24N4 — CID 139730536

IUPACN-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine
SMILESC/N=C/CCN1CCN(CC/C=N/C)CC1
InChIInChI=1S/C12H24N4/c1-13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-2/h5-6H,3-4,7-12H2,1-2H3/b13-5+,14-6+
InChIKeyAQRFNZNILFSMAC-ACFHMISVSA-N
MW224.35 g/mol
LogP0.79
Rot. Bonds6

About N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine

N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine (PubChem CID 139730536) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine.

Molecular Properties

Compound NameN-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine
PubChem CID139730536
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine
SMILESC/N=C/CCN1CCN(CC/C=N/C)CC1
InChIInChI=1S/C12H24N4/c1-13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-2/h5-6H,3-4,7-12H2,1-2H3/b13-5+,14-6+
InChIKeyAQRFNZNILFSMAC-ACFHMISVSA-N
XLogP0.79
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(aziridin-1-yl)ethyl]aziridine
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CID 21130153
3-[4-(2-oxoethyl)piperazin-1-yl]propanal
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3-[4-(3-methylbutyl)piperazin-1-yl]propanal
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3-(4-cyclopropylpiperazin-1-yl)propanal
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1-hex-3-enyl-4-(2-methylpropyl)piperazine
CID 126811197
1-hept-3-enylpiperidine
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4-[(Z)-pent-3-enyl]morpholine
CID 142132381

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine?
The IUPAC name of N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine (CID 139730536) is N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine.
What is the SMILES notation for N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine?
The canonical SMILES for N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine is C/N=C/CCN1CCN(CC/C=N/C)CC1.
What is the InChIKey of N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine?
The InChIKey is AQRFNZNILFSMAC-ACFHMISVSA-N. The full InChI is InChI=1S/C12H24N4/c1-13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-2/h5-6H,3-4,7-12H2,1-2H3/b13-5+,14-6+.
What are the key properties of N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine?
N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine has a molecular weight of 224.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(3-methyliminopropyl)piperazin-1-yl]propan-1-imine is sourced from PubChem (CID 139730536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).