N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C15H21NO — CID 55014090

IUPACN-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCC1CCCCO1)C2
InChIInChI=1S/C15H21NO/c1-2-6-13-10-14(9-12(13)5-1)16-11-15-7-3-4-8-17-15/h1-2,5-6,14-16H,3-4,7-11H2
InChIKeyATSCAGKADZUDHB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds3

About N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 55014090) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID55014090
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCC1CCCCO1)C2
InChIInChI=1S/C15H21NO/c1-2-6-13-10-14(9-12(13)5-1)16-11-15-7-3-4-8-17-15/h1-2,5-6,14-16H,3-4,7-11H2
InChIKeyATSCAGKADZUDHB-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 55014090) is N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCC1CCCCO1)C2.
What is the InChIKey of N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ATSCAGKADZUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-13-10-14(9-12(13)5-1)16-11-15-7-3-4-8-17-15/h1-2,5-6,14-16H,3-4,7-11H2.
What are the key properties of N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 55014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).