3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine

C19H30N2 — CID 11616775

IUPAC3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
SMILESCCCCC1CN(c2cccc3c2CCCC3)CCC1N
InChIInChI=1S/C19H30N2/c1-2-3-7-16-14-21(13-12-18(16)20)19-11-6-9-15-8-4-5-10-17(15)19/h6,9,11,16,18H,2-5,7-8,10,12-14,20H2,1H3
InChIKeyWOVLGDOHAFGINE-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.91
Rot. Bonds4

About 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine

3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine (PubChem CID 11616775) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
PubChem CID11616775
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
SMILESCCCCC1CN(c2cccc3c2CCCC3)CCC1N
InChIInChI=1S/C19H30N2/c1-2-3-7-16-14-21(13-12-18(16)20)19-11-6-9-15-8-4-5-10-17(15)19/h6,9,11,16,18H,2-5,7-8,10,12-14,20H2,1H3
InChIKeyWOVLGDOHAFGINE-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine?
The IUPAC name of 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine (CID 11616775) is 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine.
What is the SMILES notation for 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine?
The canonical SMILES for 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine is CCCCC1CN(c2cccc3c2CCCC3)CCC1N.
What is the InChIKey of 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine?
The InChIKey is WOVLGDOHAFGINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-3-7-16-14-21(13-12-18(16)20)19-11-6-9-15-8-4-5-10-17(15)19/h6,9,11,16,18H,2-5,7-8,10,12-14,20H2,1H3.
What are the key properties of 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine?
3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine has a molecular weight of 286.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine is sourced from PubChem (CID 11616775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).