N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C15H21NO — CID 43192228

IUPACN-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1cc2c(c(NCC3CCOC3)c1)CCCC2
InChIInChI=1S/C15H21NO/c1-2-6-14-13(4-1)5-3-7-15(14)16-10-12-8-9-17-11-12/h3,5,7,12,16H,1-2,4,6,8-11H2
InChIKeyCQCPXHKKFIBOFZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.01
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43192228) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43192228
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESc1cc2c(c(NCC3CCOC3)c1)CCCC2
InChIInChI=1S/C15H21NO/c1-2-6-14-13(4-1)5-3-7-15(14)16-10-12-8-9-17-11-12/h3,5,7,12,16H,1-2,4,6,8-11H2
InChIKeyCQCPXHKKFIBOFZ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43192228) is N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is c1cc2c(c(NCC3CCOC3)c1)CCCC2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is CQCPXHKKFIBOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-14-13(4-1)5-3-7-15(14)16-10-12-8-9-17-11-12/h3,5,7,12,16H,1-2,4,6,8-11H2.
What are the key properties of N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43192228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).