N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine

C17H22N4 — CID 102916816

IUPACN-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(Cc3nccn3C)c2c1
InChIInChI=1S/C17H22N4/c1-3-7-18-12-14-4-5-15-6-9-21(16(15)11-14)13-17-19-8-10-20(17)2/h4-6,8-11,18H,3,7,12-13H2,1-2H3
InChIKeyGQAOVKUISXAXPS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds6

About N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine

N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine (PubChem CID 102916816) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
PubChem CID102916816
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(Cc3nccn3C)c2c1
InChIInChI=1S/C17H22N4/c1-3-7-18-12-14-4-5-15-6-9-21(16(15)11-14)13-17-19-8-10-20(17)2/h4-6,8-11,18H,3,7,12-13H2,1-2H3
InChIKeyGQAOVKUISXAXPS-UHFFFAOYSA-N
XLogP2.92
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
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-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207
N-[[4-[2-(1-methylimidazol-2-yl)ethylsulfanyl]phenyl]methyl]propan-1-amine
CID 114531994
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
CID 106930226
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine (CID 102916816) is N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine is CCCNCc1ccc2ccn(Cc3nccn3C)c2c1.
What is the InChIKey of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine?
The InChIKey is GQAOVKUISXAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-7-18-12-14-4-5-15-6-9-21(16(15)11-14)13-17-19-8-10-20(17)2/h4-6,8-11,18H,3,7,12-13H2,1-2H3.
What are the key properties of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine?
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 102916816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).