ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine

C19H33N — CID 142805008

IUPACethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine
SMILESCC.CCCc1c(CC)cccc1CN1CCC(C)C1
InChIInChI=1S/C17H27N.C2H6/c1-4-7-17-15(5-2)8-6-9-16(17)13-18-11-10-14(3)12-18;1-2/h6,8-9,14H,4-5,7,10-13H2,1-3H3;1-2H3
InChIKeyDZNGMWZRSGFVOE-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.07
Rot. Bonds5

About ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine

ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine (PubChem CID 142805008) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Nameethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine
PubChem CID142805008
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Nameethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine
SMILESCC.CCCc1c(CC)cccc1CN1CCC(C)C1
InChIInChI=1S/C17H27N.C2H6/c1-4-7-17-15(5-2)8-6-9-16(17)13-18-11-10-14(3)12-18;1-2/h6,8-9,14H,4-5,7,10-13H2,1-3H3;1-2H3
InChIKeyDZNGMWZRSGFVOE-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine
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(3R)-1-benzyl-3-methylpyrrolidine;propane
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2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
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N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
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(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
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2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
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CID 42550070

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine?
The IUPAC name of ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine (CID 142805008) is ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine is CC.CCCc1c(CC)cccc1CN1CCC(C)C1.
What is the InChIKey of ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine?
The InChIKey is DZNGMWZRSGFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C2H6/c1-4-7-17-15(5-2)8-6-9-16(17)13-18-11-10-14(3)12-18;1-2/h6,8-9,14H,4-5,7,10-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine?
ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine has a molecular weight of 275.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 142805008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).