N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine

C13H24N4 — CID 66147577

IUPACN-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C1CCCN(C)C1
InChIInChI=1S/C13H24N4/c1-3-6-14-8-13-9-15-11-17(13)12-5-4-7-16(2)10-12/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyMYJFPIHAHPUEMF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds5

About N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine

N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66147577) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66147577
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C1CCCN(C)C1
InChIInChI=1S/C13H24N4/c1-3-6-14-8-13-9-15-11-17(13)12-5-4-7-16(2)10-12/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyMYJFPIHAHPUEMF-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66149040
N-[[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147330
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 66164730
N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 66147546
(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
CID 104942372
N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149947
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226
2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151948

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine (CID 66147577) is N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1C1CCCN(C)C1.
What is the InChIKey of N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is MYJFPIHAHPUEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-6-14-8-13-9-15-11-17(13)12-5-4-7-16(2)10-12/h9,11-12,14H,3-8,10H2,1-2H3.
What are the key properties of N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66147577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).