(4-methylpiperazin-1-yl)methanimine

C6H13N3 — CID 14799613

IUPAC(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C/N1CCN(C)CC1
InChIInChI=1S/C6H13N3/c1-8-2-4-9(6-7)5-3-8/h6-7H,2-5H2,1H3/b7-6+
InChIKeyKSEJXVVKPWJDOM-VOTSOKGWSA-N
MW127.19 g/mol
LogP-0.16
Rot. Bonds1

About (4-methylpiperazin-1-yl)methanimine

(4-methylpiperazin-1-yl)methanimine (PubChem CID 14799613) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)methanimine
PubChem CID14799613
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C/N1CCN(C)CC1
InChIInChI=1S/C6H13N3/c1-8-2-4-9(6-7)5-3-8/h6-7H,2-5H2,1H3/b7-6+
InChIKeyKSEJXVVKPWJDOM-VOTSOKGWSA-N
XLogP-0.16
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)methanimine (CID 14799613) is (4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)methanimine is [H]/N=C/N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)methanimine?
The InChIKey is KSEJXVVKPWJDOM-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13N3/c1-8-2-4-9(6-7)5-3-8/h6-7H,2-5H2,1H3/b7-6+.
What are the key properties of (4-methylpiperazin-1-yl)methanimine?
(4-methylpiperazin-1-yl)methanimine has a molecular weight of 127.19 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 14799613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).