N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine

C17H23N3 — CID 61316328

IUPACN-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1nccn1C
InChIInChI=1S/C17H23N3/c1-3-9-18-16(17-19-10-11-20(17)2)15-8-7-13-5-4-6-14(13)12-15/h7-8,10-12,16,18H,3-6,9H2,1-2H3
InChIKeyJBVOUKURSVRGRL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.00
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 61316328) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID61316328
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1nccn1C
InChIInChI=1S/C17H23N3/c1-3-9-18-16(17-19-10-11-20(17)2)15-8-7-13-5-4-6-14(13)12-15/h7-8,10-12,16,18H,3-6,9H2,1-2H3
InChIKeyJBVOUKURSVRGRL-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308266
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316345
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038338
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 63742518
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[(5-bromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43496753
1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820450

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 61316328) is N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCC2)c1nccn1C.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is JBVOUKURSVRGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-9-18-16(17-19-10-11-20(17)2)15-8-7-13-5-4-6-14(13)12-15/h7-8,10-12,16,18H,3-6,9H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61316328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).