1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

C16H21N3 — CID 114530343

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)C1Cc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-19-9-8-18-16(19)7-6-15(17)14-10-12-4-2-3-5-13(12)11-14/h2-5,8-9,14-15H,6-7,10-11,17H2,1H3
InChIKeyXAHHUDCPFXSHQK-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.10
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114530343) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114530343
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)C1Cc2ccccc2C1
InChIInChI=1S/C16H21N3/c1-19-9-8-18-16(19)7-6-15(17)14-10-12-4-2-3-5-13(12)11-14/h2-5,8-9,14-15H,6-7,10-11,17H2,1H3
InChIKeyXAHHUDCPFXSHQK-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
N-methyl-3-(1-methylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-amine
CID 114530350
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761477
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530339
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 79752776
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine
CID 65412071

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114530343) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cn1ccnc1CCC(N)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is XAHHUDCPFXSHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-9-8-18-16(19)7-6-15(17)14-10-12-4-2-3-5-13(12)11-14/h2-5,8-9,14-15H,6-7,10-11,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114530343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).