N-nonyl-2,3-dihydro-1H-inden-2-amine

C18H29N — CID 107851988

IUPACN-nonyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCCCCCCCNC1Cc2ccccc2C1
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-10-13-19-18-14-16-11-8-9-12-17(16)15-18/h8-9,11-12,18-19H,2-7,10,13-15H2,1H3
InChIKeyNLXJMZMSNHOALF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.49
Rot. Bonds9

About N-nonyl-2,3-dihydro-1H-inden-2-amine

N-nonyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 107851988) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-nonyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-nonyl-2,3-dihydro-1H-inden-2-amine
PubChem CID107851988
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-nonyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCCCCCCCNC1Cc2ccccc2C1
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-10-13-19-18-14-16-11-8-9-12-17(16)15-18/h8-9,11-12,18-19H,2-7,10,13-15H2,1H3
InChIKeyNLXJMZMSNHOALF-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-nonyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-nonyl-2,3-dihydro-1H-inden-2-amine (CID 107851988) is N-nonyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-nonyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-nonyl-2,3-dihydro-1H-inden-2-amine is CCCCCCCCCNC1Cc2ccccc2C1.
What is the InChIKey of N-nonyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NLXJMZMSNHOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-4-5-6-7-10-13-19-18-14-16-11-8-9-12-17(16)15-18/h8-9,11-12,18-19H,2-7,10,13-15H2,1H3.
What are the key properties of N-nonyl-2,3-dihydro-1H-inden-2-amine?
N-nonyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107851988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).