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

C14H19NO — CID 104584497

IUPACN-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOC1CC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19NO/c1-16-14-8-13(9-14)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,12-15H,6-9H2,1H3
InChIKeyPQLKAKYGKZKDIT-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds3

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

N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 104584497) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID104584497
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOC1CC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19NO/c1-16-14-8-13(9-14)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,12-15H,6-9H2,1H3
InChIKeyPQLKAKYGKZKDIT-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine (CID 104584497) is N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine is COC1CC(NC2Cc3ccccc3C2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PQLKAKYGKZKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14-8-13(9-14)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,12-15H,6-9H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 217.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104584497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).