N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

C14H27N5 — CID 66149947

IUPACN-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1CC1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-4-5-15-8-13-9-16-12-19(13)11-14-10-17(2)6-7-18(14)3/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyWPDOFTNARLISQF-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.63
Rot. Bonds6

About N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66149947) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID66149947
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1CC1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-4-5-15-8-13-9-16-12-19(13)11-14-10-17(2)6-7-18(14)3/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyWPDOFTNARLISQF-UHFFFAOYSA-N
XLogP0.63
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104943232
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708327
N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147577
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-methyl-N-[[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79077837
N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66152003
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 66149947) is N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1CC1CN(C)CCN1C.
What is the InChIKey of N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is WPDOFTNARLISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-5-15-8-13-9-16-12-19(13)11-14-10-17(2)6-7-18(14)3/h9,12,14-15H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66149947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).