1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C19H29NO — CID 114623179

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CCc3ccccc3C2)C(C)(C)O1
InChIInChI=1S/C19H29NO/c1-18(2)12-16(19(3,4)21-18)17(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-8,15-17H,9-12,20H2,1-4H3
InChIKeyXSCHPSALQOTVAP-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.71
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623179) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623179
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CCc3ccccc3C2)C(C)(C)O1
InChIInChI=1S/C19H29NO/c1-18(2)12-16(19(3,4)21-18)17(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-8,15-17H,9-12,20H2,1-4H3
InChIKeyXSCHPSALQOTVAP-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623179) is 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)C2CCc3ccccc3C2)C(C)(C)O1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is XSCHPSALQOTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2)12-16(19(3,4)21-18)17(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-8,15-17H,9-12,20H2,1-4H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).