[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine

C20H31N — CID 81012326

IUPAC[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H31N/c1-2-4-15-7-10-19(14-21)20(11-15)13-16-8-9-17-5-3-6-18(17)12-16/h8-9,12,15,19-20H,2-7,10-11,13-14,21H2,1H3
InChIKeyCWGKJYOWVBEVMK-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.51
Rot. Bonds5

About [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine

[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine (PubChem CID 81012326) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
PubChem CID81012326
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H31N/c1-2-4-15-7-10-19(14-21)20(11-15)13-16-8-9-17-5-3-6-18(17)12-16/h8-9,12,15,19-20H,2-7,10-11,13-14,21H2,1H3
InChIKeyCWGKJYOWVBEVMK-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine (CID 81012326) is [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine?
The InChIKey is CWGKJYOWVBEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-4-15-7-10-19(14-21)20(11-15)13-16-8-9-17-5-3-6-18(17)12-16/h8-9,12,15,19-20H,2-7,10-11,13-14,21H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine?
[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine has a molecular weight of 285.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81012326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).