N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine

C18H25N3 — CID 66401707

IUPACN-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H25N3/c1-14(2)11-19-12-18-20-8-9-21(18)13-15-6-7-16-4-3-5-17(16)10-15/h6-10,14,19H,3-5,11-13H2,1-2H3
InChIKeySIDFJGXJUIXDHN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.17
Rot. Bonds6

About N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66401707) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66401707
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H25N3/c1-14(2)11-19-12-18-20-8-9-21(18)13-15-6-7-16-4-3-5-17(16)10-15/h6-10,14,19H,3-5,11-13H2,1-2H3
InChIKeySIDFJGXJUIXDHN-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine (CID 66401707) is N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nccn1Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SIDFJGXJUIXDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)11-19-12-18-20-8-9-21(18)13-15-6-7-16-4-3-5-17(16)10-15/h6-10,14,19H,3-5,11-13H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66401707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).