1-methyl-3-(5-methylnonan-5-yl)pyrrolidine

C15H31N — CID 170333732

IUPAC1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
SMILESCCCCC(C)(CCCC)C1CCN(C)C1
InChIInChI=1S/C15H31N/c1-5-7-10-15(3,11-8-6-2)14-9-12-16(4)13-14/h14H,5-13H2,1-4H3
InChIKeyYIRISEQITWSKGD-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds7

About 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine

1-methyl-3-(5-methylnonan-5-yl)pyrrolidine (PubChem CID 170333732) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
PubChem CID170333732
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
SMILESCCCCC(C)(CCCC)C1CCN(C)C1
InChIInChI=1S/C15H31N/c1-5-7-10-15(3,11-8-6-2)14-9-12-16(4)13-14/h14H,5-13H2,1-4H3
InChIKeyYIRISEQITWSKGD-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
2-(1-methylpyrrolidin-3-yl)propane-2-thiol
CID 116866670
ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 166075678
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924
3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine
CID 105443320
3-[5-(3,3-difluorocyclobutyl)-2,5-dimethylhexan-2-yl]-1-methylpyrrolidine
CID 139475194
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
O-[2-(1-methylpyrrolidin-3-yl)propan-2-yl]hydroxylamine
CID 117104630
3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
CID 134420427
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine?
The IUPAC name of 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine (CID 170333732) is 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine is CCCCC(C)(CCCC)C1CCN(C)C1.
What is the InChIKey of 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine?
The InChIKey is YIRISEQITWSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-7-10-15(3,11-8-6-2)14-9-12-16(4)13-14/h14H,5-13H2,1-4H3.
What are the key properties of 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine?
1-methyl-3-(5-methylnonan-5-yl)pyrrolidine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylnonan-5-yl)pyrrolidine is sourced from PubChem (CID 170333732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).