N-[(4-methylpiperazin-1-yl)methyl]methanimine

C7H15N3 — CID 91606147

IUPACN-[(4-methylpiperazin-1-yl)methyl]methanimine
SMILESC=NCN1CCN(C)CC1
InChIInChI=1S/C7H15N3/c1-8-7-10-5-3-9(2)4-6-10/h1,3-7H2,2H3
InChIKeyWIGUXCHBZPHUKG-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.11
Rot. Bonds2

About N-[(4-methylpiperazin-1-yl)methyl]methanimine

N-[(4-methylpiperazin-1-yl)methyl]methanimine (PubChem CID 91606147) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N-[(4-methylpiperazin-1-yl)methyl]methanimine.

Molecular Properties

Compound NameN-[(4-methylpiperazin-1-yl)methyl]methanimine
PubChem CID91606147
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN-[(4-methylpiperazin-1-yl)methyl]methanimine
SMILESC=NCN1CCN(C)CC1
InChIInChI=1S/C7H15N3/c1-8-7-10-5-3-9(2)4-6-10/h1,3-7H2,2H3
InChIKeyWIGUXCHBZPHUKG-UHFFFAOYSA-N
XLogP-0.11
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-methylidenepiperazin-4-ium
CID 21537313
4-Methyl-1-methylenepiperazinium chloride
CID 21537312
1,4-Dimethylidenepiperazine-1,4-diium
CID 89374723
1-(Isocyanomethyl)-4-methylpiperazine
CID 90704759
N-[1-(4-methylpiperazin-1-yl)ethenyl]methanimine
CID 123429548
N-[1-(4-ethylpiperazin-1-yl)ethyl]methanimine
CID 161732121
1-Methylidene-4-(trideuteriomethyl)piperazin-1-ium
CID 177070585
1-(Deuteriomethyl)-4-methylidenepiperazin-4-ium
CID 177070592
1-(Dideuteriomethyl)-4-methylidenepiperazin-4-ium
CID 177070595
1-methyl-4-(113C)methylidenepiperazin-4-ium
CID 11309499
1-methyl-4-(113C)methylidene-(415N)1,4-diazinan-4-ium
CID 11344005
1-methyl-4-methylidene-(5,6-13C2)1,4-diazinan-4-ium
CID 11366974

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperazin-1-yl)methyl]methanimine?
The IUPAC name of N-[(4-methylpiperazin-1-yl)methyl]methanimine (CID 91606147) is N-[(4-methylpiperazin-1-yl)methyl]methanimine.
What is the SMILES notation for N-[(4-methylpiperazin-1-yl)methyl]methanimine?
The canonical SMILES for N-[(4-methylpiperazin-1-yl)methyl]methanimine is C=NCN1CCN(C)CC1.
What is the InChIKey of N-[(4-methylpiperazin-1-yl)methyl]methanimine?
The InChIKey is WIGUXCHBZPHUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-8-7-10-5-3-9(2)4-6-10/h1,3-7H2,2H3.
What are the key properties of N-[(4-methylpiperazin-1-yl)methyl]methanimine?
N-[(4-methylpiperazin-1-yl)methyl]methanimine has a molecular weight of 141.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperazin-1-yl)methyl]methanimine is sourced from PubChem (CID 91606147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).