1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine

C16H25N — CID 56987122

IUPAC1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine
SMILESCC1(C)CCC=C2C=C(N3CCCC3)CCC21
InChIInChI=1S/C16H25N/c1-16(2)9-5-6-13-12-14(7-8-15(13)16)17-10-3-4-11-17/h6,12,15H,3-5,7-11H2,1-2H3
InChIKeyWBLHZMAOGJJMDH-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.12
Rot. Bonds1

About 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine

1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine (PubChem CID 56987122) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine
PubChem CID56987122
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine
SMILESCC1(C)CCC=C2C=C(N3CCCC3)CCC21
InChIInChI=1S/C16H25N/c1-16(2)9-5-6-13-12-14(7-8-15(13)16)17-10-3-4-11-17/h6,12,15H,3-5,7-11H2,1-2H3
InChIKeyWBLHZMAOGJJMDH-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine (CID 56987122) is 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine is CC1(C)CCC=C2C=C(N3CCCC3)CCC21.
What is the InChIKey of 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine?
The InChIKey is WBLHZMAOGJJMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2)9-5-6-13-12-14(7-8-15(13)16)17-10-3-4-11-17/h6,12,15H,3-5,7-11H2,1-2H3.
What are the key properties of 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine?
1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4,4a,6,7-tetrahydro-3H-naphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 56987122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).