1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine

C18H28N2O — CID 79737097

IUPAC1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCCOC1CCCCC1
InChIInChI=1S/C18H28N2O/c19-15-8-9-17-14(13-15)7-10-18(17)20-11-4-12-21-16-5-2-1-3-6-16/h8-9,13,16,18,20H,1-7,10-12,19H2
InChIKeyAQOIHFAYMGFHAR-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.59
Rot. Bonds6

About 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79737097) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79737097
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCCOC1CCCCC1
InChIInChI=1S/C18H28N2O/c19-15-8-9-17-14(13-15)7-10-18(17)20-11-4-12-21-16-5-2-1-3-6-16/h8-9,13,16,18,20H,1-7,10-12,19H2
InChIKeyAQOIHFAYMGFHAR-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79737097) is 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCCCOC1CCCCC1.
What is the InChIKey of 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is AQOIHFAYMGFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-15-8-9-17-14(13-15)7-10-18(17)20-11-4-12-21-16-5-2-1-3-6-16/h8-9,13,16,18,20H,1-7,10-12,19H2.
What are the key properties of 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 288.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79737097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).