3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H20N2 — CID 23009493

IUPAC3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CC(N2CCCC2)Cc2ccccc21
InChIInChI=1S/C14H20N2/c15-14-10-12(16-7-3-4-8-16)9-11-5-1-2-6-13(11)14/h1-2,5-6,12,14H,3-4,7-10,15H2
InChIKeyWWXVBLUMYZJPFZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.10
Rot. Bonds1

About 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 23009493) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID23009493
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CC(N2CCCC2)Cc2ccccc21
InChIInChI=1S/C14H20N2/c15-14-10-12(16-7-3-4-8-16)9-11-5-1-2-6-13(11)14/h1-2,5-6,12,14H,3-4,7-10,15H2
InChIKeyWWXVBLUMYZJPFZ-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 23009493) is 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CC(N2CCCC2)Cc2ccccc21.
What is the InChIKey of 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WWXVBLUMYZJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-14-10-12(16-7-3-4-8-16)9-11-5-1-2-6-13(11)14/h1-2,5-6,12,14H,3-4,7-10,15H2.
What are the key properties of 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 23009493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).