(4S)-3-methyl-4-nonylpyrrolidine

C14H29N — CID 118011662

IUPAC(4S)-3-methyl-4-nonylpyrrolidine
SMILESCCCCCCCCC[C@@H]1CNCC1C
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-14-12-15-11-13(14)2/h13-15H,3-12H2,1-2H3/t13?,14-/m1/s1
InChIKeySRGXRXWQHQODOP-ARLHGKGLSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds8

About (4S)-3-methyl-4-nonylpyrrolidine

(4S)-3-methyl-4-nonylpyrrolidine (PubChem CID 118011662) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (4S)-3-methyl-4-nonylpyrrolidine.

Molecular Properties

Compound Name(4S)-3-methyl-4-nonylpyrrolidine
PubChem CID118011662
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(4S)-3-methyl-4-nonylpyrrolidine
SMILESCCCCCCCCC[C@@H]1CNCC1C
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-14-12-15-11-13(14)2/h13-15H,3-12H2,1-2H3/t13?,14-/m1/s1
InChIKeySRGXRXWQHQODOP-ARLHGKGLSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-4-propylpyrrolidine
CID 166487820
1-methyl-2-pentadecylcyclopropane
CID 54385825
3-hexylazetidine
CID 79452100
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 63715356
1,2-dioctylcyclopropane
CID 21337627
1-hexyl-2-undecylcyclopropane
CID 58049498
N-[(4-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 63716197
1-decyl-2-methylcyclohexane
CID 123746851
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
2-hexyl-4-methylbicyclo[3.1.0]hexane
CID 163738205
1-(4-methylpyrrolidin-3-yl)decan-1-one
CID 116572424

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-nonylpyrrolidine?
The IUPAC name of (4S)-3-methyl-4-nonylpyrrolidine (CID 118011662) is (4S)-3-methyl-4-nonylpyrrolidine.
What is the SMILES notation for (4S)-3-methyl-4-nonylpyrrolidine?
The canonical SMILES for (4S)-3-methyl-4-nonylpyrrolidine is CCCCCCCCC[C@@H]1CNCC1C.
What is the InChIKey of (4S)-3-methyl-4-nonylpyrrolidine?
The InChIKey is SRGXRXWQHQODOP-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-14-12-15-11-13(14)2/h13-15H,3-12H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of (4S)-3-methyl-4-nonylpyrrolidine?
(4S)-3-methyl-4-nonylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-nonylpyrrolidine is sourced from PubChem (CID 118011662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).