cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine

C23H32N2 — CID 14771475

IUPACcis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILESCN(CCc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C23H32N2/c1-24(22-10-4-5-11-23(22)25-15-6-7-16-25)17-14-19-12-13-20-8-2-3-9-21(20)18-19/h2-3,8-9,12-13,18,22-23H,4-7,10-11,14-17H2,1H3/t22-,23+/m0/s1
InChIKeyLYOGXCPLWITLMQ-XZOQPEGZSA-N
MW336.52 g/mol
LogP4.72
Rot. Bonds5

About cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine

cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine (PubChem CID 14771475) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine
PubChem CID14771475
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Namecis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILESCN(CCc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C23H32N2/c1-24(22-10-4-5-11-23(22)25-15-6-7-16-25)17-14-19-12-13-20-8-2-3-9-21(20)18-19/h2-3,8-9,12-13,18,22-23H,4-7,10-11,14-17H2,1H3/t22-,23+/m0/s1
InChIKeyLYOGXCPLWITLMQ-XZOQPEGZSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine (CID 14771475) is cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine is CN(CCc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine?
The InChIKey is LYOGXCPLWITLMQ-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H32N2/c1-24(22-10-4-5-11-23(22)25-15-6-7-16-25)17-14-19-12-13-20-8-2-3-9-21(20)18-19/h2-3,8-9,12-13,18,22-23H,4-7,10-11,14-17H2,1H3/t22-,23+/m0/s1.
What are the key properties of cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine?
cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine has a molecular weight of 336.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-methyl-N-(2-naphthalen-2-ylethyl)-2-pyrrolidin-1-ylcyclohexan-1-amine is sourced from PubChem (CID 14771475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).