2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine

C18H27N — CID 66466052

IUPAC2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
SMILESCC(C)C1(CC2CCCc3ccccc32)CCCN1
InChIInChI=1S/C18H27N/c1-14(2)18(11-6-12-19-18)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-4,7,10,14,16,19H,5-6,8-9,11-13H2,1-2H3
InChIKeyPNMVOCLTVAKUIX-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.27
Rot. Bonds3

About 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine

2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine (PubChem CID 66466052) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
PubChem CID66466052
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
SMILESCC(C)C1(CC2CCCc3ccccc32)CCCN1
InChIInChI=1S/C18H27N/c1-14(2)18(11-6-12-19-18)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-4,7,10,14,16,19H,5-6,8-9,11-13H2,1-2H3
InChIKeyPNMVOCLTVAKUIX-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)azepane
CID 79117995
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63772469
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 63772132
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
CID 63772638
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346
4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772300
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 79423048

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
The IUPAC name of 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine (CID 66466052) is 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
The canonical SMILES for 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine is CC(C)C1(CC2CCCc3ccccc32)CCCN1.
What is the InChIKey of 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
The InChIKey is PNMVOCLTVAKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(2)18(11-6-12-19-18)13-16-9-5-8-15-7-3-4-10-17(15)16/h3-4,7,10,14,16,19H,5-6,8-9,11-13H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 66466052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).