1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen

C15H25N — CID 143853919

IUPAC1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
SMILESCCCC1(C)CCN(Cc2ccccc2)C1.[H][H]
InChIInChI=1S/C15H23N.H2/c1-3-9-15(2)10-11-16(13-15)12-14-7-5-4-6-8-14;/h4-8H,3,9-13H2,1-2H3;1H
InChIKeyWCBSMEYHPNRDAE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.94
Rot. Bonds4

About 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen

1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen (PubChem CID 143853919) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
PubChem CID143853919
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
SMILESCCCC1(C)CCN(Cc2ccccc2)C1.[H][H]
InChIInChI=1S/C15H23N.H2/c1-3-9-15(2)10-11-16(13-15)12-14-7-5-4-6-8-14;/h4-8H,3,9-13H2,1-2H3;1H
InChIKeyWCBSMEYHPNRDAE-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[2-[2-(difluoromethyl)-6-methylphenyl]ethyl]-3-methylpyrrolidine
CID 90960770
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
CID 125146477
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
4-[(3R)-1-benzyl-3-methylpyrrolidin-3-yl]aniline
CID 124566342

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen?
The IUPAC name of 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen (CID 143853919) is 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen.
What is the SMILES notation for 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen?
The canonical SMILES for 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen is CCCC1(C)CCN(Cc2ccccc2)C1.[H][H].
What is the InChIKey of 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen?
The InChIKey is WCBSMEYHPNRDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.H2/c1-3-9-15(2)10-11-16(13-15)12-14-7-5-4-6-8-14;/h4-8H,3,9-13H2,1-2H3;1H.
What are the key properties of 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen?
1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen has a molecular weight of 219.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 143853919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).