[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine

C9H19N5 — CID 114400598

IUPAC[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(C2=NCCN2)C(CN)C1
InChIInChI=1S/C9H19N5/c1-13-4-5-14(8(6-10)7-13)9-11-2-3-12-9/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyKMVDLNBOYSEPHW-UHFFFAOYSA-N
MW197.29 g/mol
LogP-1.48
Rot. Bonds1

About [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine

[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 114400598) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID114400598
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(C2=NCCN2)C(CN)C1
InChIInChI=1S/C9H19N5/c1-13-4-5-14(8(6-10)7-13)9-11-2-3-12-9/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyKMVDLNBOYSEPHW-UHFFFAOYSA-N
XLogP-1.48
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine
CID 80506443
[1-(6-chloropyridazin-3-yl)-4-methylpiperazin-2-yl]methanamine
CID 80506495
[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine
CID 80506253
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperazin-2-yl]methanamine
CID 80506488
[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine
CID 80506485
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide
CID 80506496
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
CID 80506375
(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
CID 142243069
[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506382
[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
CID 80506250
[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506211
[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506286

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine (CID 114400598) is [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine is CN1CCN(C2=NCCN2)C(CN)C1.
What is the InChIKey of [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is KMVDLNBOYSEPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-13-4-5-14(8(6-10)7-13)9-11-2-3-12-9/h8H,2-7,10H2,1H3,(H,11,12).
What are the key properties of [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 197.29 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 114400598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).