N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine

C20H32N2O — CID 11508621

IUPACN,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)CCC(CN1CCCC1)C2
InChIInChI=1S/C20H32N2O/c1-21(2)10-5-13-23-20-9-8-18-14-17(6-7-19(18)15-20)16-22-11-3-4-12-22/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyMFIVQYPMHIWURF-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.22
Rot. Bonds7

About N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine

N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine (PubChem CID 11508621) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine
PubChem CID11508621
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc2c(c1)CCC(CN1CCCC1)C2
InChIInChI=1S/C20H32N2O/c1-21(2)10-5-13-23-20-9-8-18-14-17(6-7-19(18)15-20)16-22-11-3-4-12-22/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyMFIVQYPMHIWURF-UHFFFAOYSA-N
XLogP3.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine (CID 11508621) is N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine is CN(C)CCCOc1ccc2c(c1)CCC(CN1CCCC1)C2.
What is the InChIKey of N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine?
The InChIKey is MFIVQYPMHIWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-21(2)10-5-13-23-20-9-8-18-14-17(6-7-19(18)15-20)16-22-11-3-4-12-22/h8-9,15,17H,3-7,10-14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine?
N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propan-1-amine is sourced from PubChem (CID 11508621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).