1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine

C16H25N — CID 19937285

IUPAC1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1C1=CCCC2CCCC=C12
InChIInChI=1S/C16H25N/c1-16(2)11-6-12-17(16)15-10-5-8-13-7-3-4-9-14(13)15/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyFKAXTZGWKGDNDO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds1

About 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine

1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine (PubChem CID 19937285) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine
PubChem CID19937285
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1C1=CCCC2CCCC=C12
InChIInChI=1S/C16H25N/c1-16(2)11-6-12-17(16)15-10-5-8-13-7-3-4-9-14(13)15/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyFKAXTZGWKGDNDO-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine (CID 19937285) is 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine is CC1(C)CCCN1C1=CCCC2CCCC=C12.
What is the InChIKey of 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine?
The InChIKey is FKAXTZGWKGDNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2)11-6-12-17(16)15-10-5-8-13-7-3-4-9-14(13)15/h9-10,13H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine?
1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7-hexahydronaphthalen-1-yl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 19937285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).