N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine

C12H23N5 — CID 55177285

IUPACN-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C12H23N5/c1-3-4-13-9-11-10-14-12(15-11)17-7-5-16(2)6-8-17/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyBTSSKFYGWXQKPY-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.66
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine

N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 55177285) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID55177285
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C12H23N5/c1-3-4-13-9-11-10-14-12(15-11)17-7-5-16(2)6-8-17/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyBTSSKFYGWXQKPY-UHFFFAOYSA-N
XLogP0.66
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-piperidin-1-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109190
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine
CID 117189330
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 65405264
N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81250058
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 42876329

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine (CID 55177285) is N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCN(C)CC2)[nH]1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is BTSSKFYGWXQKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-4-13-9-11-10-14-12(15-11)17-7-5-16(2)6-8-17/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 55177285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).