ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine

C18H27NO — CID 144987049

IUPACethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine
SMILESCC.NCC1=CCCc2cc(C3CCOCC3)ccc21
InChIInChI=1S/C16H21NO.C2H6/c17-11-15-3-1-2-14-10-13(4-5-16(14)15)12-6-8-18-9-7-12;1-2/h3-5,10,12H,1-2,6-9,11,17H2;1-2H3
InChIKeyVJVCYBLHNQCJQR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.90
Rot. Bonds2

About ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine

ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine (PubChem CID 144987049) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Nameethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine
PubChem CID144987049
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nameethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine
SMILESCC.NCC1=CCCc2cc(C3CCOCC3)ccc21
InChIInChI=1S/C16H21NO.C2H6/c17-11-15-3-1-2-14-10-13(4-5-16(14)15)12-6-8-18-9-7-12;1-2/h3-5,10,12H,1-2,6-9,11,17H2;1-2H3
InChIKeyVJVCYBLHNQCJQR-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine?
The IUPAC name of ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine (CID 144987049) is ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine.
What is the SMILES notation for ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine?
The canonical SMILES for ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine is CC.NCC1=CCCc2cc(C3CCOCC3)ccc21.
What is the InChIKey of ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine?
The InChIKey is VJVCYBLHNQCJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.C2H6/c17-11-15-3-1-2-14-10-13(4-5-16(14)15)12-6-8-18-9-7-12;1-2/h3-5,10,12H,1-2,6-9,11,17H2;1-2H3.
What are the key properties of ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine?
ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-(oxan-4-yl)-3,4-dihydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 144987049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).