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

C13H25N5 — CID 55109545

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCc2cnc[nH]2)CC1
InChIInChI=1S/C13H25N5/c1-13(2,18-6-4-17(3)5-7-18)10-14-8-12-9-15-11-16-12/h9,11,14H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyFEOIEBWVLKHWCP-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.53
Rot. Bonds5

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

N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 55109545) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID55109545
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCc2cnc[nH]2)CC1
InChIInChI=1S/C13H25N5/c1-13(2,18-6-4-17(3)5-7-18)10-14-8-12-9-15-11-16-12/h9,11,14H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyFEOIEBWVLKHWCP-UHFFFAOYSA-N
XLogP0.53
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 55109545) is N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(C(C)(C)CNCc2cnc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is FEOIEBWVLKHWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2,18-6-4-17(3)5-7-18)10-14-8-12-9-15-11-16-12/h9,11,14H,4-8,10H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 55109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).