4-heptyl-1,2-dimethylpyrrolidine

C13H27N — CID 177227057

IUPAC4-heptyl-1,2-dimethylpyrrolidine
SMILESCCCCCCCC1CC(C)N(C)C1
InChIInChI=1S/C13H27N/c1-4-5-6-7-8-9-13-10-12(2)14(3)11-13/h12-13H,4-11H2,1-3H3
InChIKeyDOORMRPFMOGDEE-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds6

About 4-heptyl-1,2-dimethylpyrrolidine

4-heptyl-1,2-dimethylpyrrolidine (PubChem CID 177227057) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-heptyl-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-heptyl-1,2-dimethylpyrrolidine
PubChem CID177227057
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-heptyl-1,2-dimethylpyrrolidine
SMILESCCCCCCCC1CC(C)N(C)C1
InChIInChI=1S/C13H27N/c1-4-5-6-7-8-9-13-10-12(2)14(3)11-13/h12-13H,4-11H2,1-3H3
InChIKeyDOORMRPFMOGDEE-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-heptyl-1,2-dimethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-pentylpiperidine
CID 145095464
4-ethyl-2-heptyl-1,6-dimethylpiperidine
CID 22754520
N-decyl-1,5-dimethylpyrrolidin-3-amine
CID 81467256
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
1-decyl-2,4,5-trimethylpiperazine
CID 3030120
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
3-hexylbicyclo[3.1.0]hexane
CID 142241638
4-hexylcyclopentene
CID 10487053
1-heptyl-2-methylaziridine
CID 142378837

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-1,2-dimethylpyrrolidine?
The IUPAC name of 4-heptyl-1,2-dimethylpyrrolidine (CID 177227057) is 4-heptyl-1,2-dimethylpyrrolidine.
What is the SMILES notation for 4-heptyl-1,2-dimethylpyrrolidine?
The canonical SMILES for 4-heptyl-1,2-dimethylpyrrolidine is CCCCCCCC1CC(C)N(C)C1.
What is the InChIKey of 4-heptyl-1,2-dimethylpyrrolidine?
The InChIKey is DOORMRPFMOGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-7-8-9-13-10-12(2)14(3)11-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-heptyl-1,2-dimethylpyrrolidine?
4-heptyl-1,2-dimethylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1,2-dimethylpyrrolidine is sourced from PubChem (CID 177227057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).