N,1-dimethylpiperazin-2-imine

C6H13N3 — CID 23435343

IUPACN,1-dimethylpiperazin-2-imine
SMILESC/N=C1\CNCCN1C
InChIInChI=1S/C6H13N3/c1-7-6-5-8-3-4-9(6)2/h8H,3-5H2,1-2H3/b7-6+
InChIKeyGCGNODZNYQJHJS-VOTSOKGWSA-N
MW127.19 g/mol
LogP-0.45
Rot. Bonds

About N,1-dimethylpiperazin-2-imine

N,1-dimethylpiperazin-2-imine (PubChem CID 23435343) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N,1-dimethylpiperazin-2-imine.

Molecular Properties

Compound NameN,1-dimethylpiperazin-2-imine
PubChem CID23435343
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN,1-dimethylpiperazin-2-imine
SMILESC/N=C1\CNCCN1C
InChIInChI=1S/C6H13N3/c1-7-6-5-8-3-4-9(6)2/h8H,3-5H2,1-2H3/b7-6+
InChIKeyGCGNODZNYQJHJS-VOTSOKGWSA-N
XLogP-0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylimidazoline
CID 10798
2-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 246524
2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 1715062
Imino methyl piperazine
CID 70652927
N-(fluoromethyl)-1-piperazin-1-ylethanimine
CID 123953554
3-Fluoro-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrazine
CID 132196529
2,2,2-trifluoro-N-(4-methylpiperazin-1-ium-2-ylidene)ethanimidamide
CID 144072518
1-(1-fluoroethyl)-N-methylpiperazin-2-imine
CID 163849334
N-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 164141490
2,3,5,6,7,8-Hexahydroimidazo[1,2-a]pyrazine
CID 67578460
1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine
CID 162558506
2-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
CID 54612263

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperazin-2-imine?
The IUPAC name of N,1-dimethylpiperazin-2-imine (CID 23435343) is N,1-dimethylpiperazin-2-imine.
What is the SMILES notation for N,1-dimethylpiperazin-2-imine?
The canonical SMILES for N,1-dimethylpiperazin-2-imine is C/N=C1\CNCCN1C.
What is the InChIKey of N,1-dimethylpiperazin-2-imine?
The InChIKey is GCGNODZNYQJHJS-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-6-5-8-3-4-9(6)2/h8H,3-5H2,1-2H3/b7-6+.
What are the key properties of N,1-dimethylpiperazin-2-imine?
N,1-dimethylpiperazin-2-imine has a molecular weight of 127.19 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperazin-2-imine is sourced from PubChem (CID 23435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).