1,3-dimethyl-4-pentylpyrrolidine

C11H23N — CID 145095379

IUPAC1,3-dimethyl-4-pentylpyrrolidine
SMILESCCCCCC1CN(C)CC1C
InChIInChI=1S/C11H23N/c1-4-5-6-7-11-9-12(3)8-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyWWKFMSHVCXEKMX-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds4

About 1,3-dimethyl-4-pentylpyrrolidine

1,3-dimethyl-4-pentylpyrrolidine (PubChem CID 145095379) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,3-dimethyl-4-pentylpyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-4-pentylpyrrolidine
PubChem CID145095379
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,3-dimethyl-4-pentylpyrrolidine
SMILESCCCCCC1CN(C)CC1C
InChIInChI=1S/C11H23N/c1-4-5-6-7-11-9-12(3)8-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyWWKFMSHVCXEKMX-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyl-1-propyl-pyrrolidine
CID 44460756
1-Methyl-3-propylpyrrolidine
CID 18722953
(2R)-2-cyclohexyl-1-methylpyrrolidine
CID 57617591
1-Methyl-4-ethyl-2-n-propylpyrrolidine
CID 57834780
1-(2-Methylhexyl)pyrrolidine
CID 72457033
1,4-Dimethyl-2-n-propyl-pyrrolidine
CID 89311502
2-Cyclohexyl-1-ethylpyrrolidine
CID 102450859
Tetraethyl pyrrolidine
CID 129816013
2-Butan-2-yl-4-fluoro-1,4-dimethylpyrrolidine
CID 68383254
2-butyl-N,N-dimethyloctan-1-amine
CID 87794400
2-Ethyl-N,N-dimethyldecylamine
CID 87794731
3-(4-Fluorocyclohexyl)-1-methylpyrrolidine
CID 121477058

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-pentylpyrrolidine?
The IUPAC name of 1,3-dimethyl-4-pentylpyrrolidine (CID 145095379) is 1,3-dimethyl-4-pentylpyrrolidine.
What is the SMILES notation for 1,3-dimethyl-4-pentylpyrrolidine?
The canonical SMILES for 1,3-dimethyl-4-pentylpyrrolidine is CCCCCC1CN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-4-pentylpyrrolidine?
The InChIKey is WWKFMSHVCXEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-6-7-11-9-12(3)8-10(11)2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-pentylpyrrolidine?
1,3-dimethyl-4-pentylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-pentylpyrrolidine is sourced from PubChem (CID 145095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).