N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine

C14H22N2 — CID 82013361

IUPACN,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccccc1N(C)C1CNC(C)(C)C1
InChIInChI=1S/C14H22N2/c1-11-7-5-6-8-13(11)16(4)12-9-14(2,3)15-10-12/h5-8,12,15H,9-10H2,1-4H3
InChIKeyLCRQFMWPIITOPK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds2

About N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine

N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine (PubChem CID 82013361) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
PubChem CID82013361
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccccc1N(C)C1CNC(C)(C)C1
InChIInChI=1S/C14H22N2/c1-11-7-5-6-8-13(11)16(4)12-9-14(2,3)15-10-12/h5-8,12,15H,9-10H2,1-4H3
InChIKeyLCRQFMWPIITOPK-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine (CID 82013361) is N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine is Cc1ccccc1N(C)C1CNC(C)(C)C1.
What is the InChIKey of N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine?
The InChIKey is LCRQFMWPIITOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-7-5-6-8-13(11)16(4)12-9-14(2,3)15-10-12/h5-8,12,15H,9-10H2,1-4H3.
What are the key properties of N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine?
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 82013361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).