3-(2-methylpentyl)-1-propylpyrrolidine

C13H27N — CID 123729662

IUPAC3-(2-methylpentyl)-1-propylpyrrolidine
SMILESCCCC(C)CC1CCN(CCC)C1
InChIInChI=1S/C13H27N/c1-4-6-12(3)10-13-7-9-14(11-13)8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyYHUCYLRYJXSKIV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds6

About 3-(2-methylpentyl)-1-propylpyrrolidine

3-(2-methylpentyl)-1-propylpyrrolidine (PubChem CID 123729662) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(2-methylpentyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name3-(2-methylpentyl)-1-propylpyrrolidine
PubChem CID123729662
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(2-methylpentyl)-1-propylpyrrolidine
SMILESCCCC(C)CC1CCN(CCC)C1
InChIInChI=1S/C13H27N/c1-4-6-12(3)10-13-7-9-14(11-13)8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyYHUCYLRYJXSKIV-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(1-propylpyrrolidin-3-yl)propan-1-ol
CID 83981032
4-(1-propylpyrrolidin-3-yl)butan-2-amine
CID 83981036
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
CID 134195529
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 115712049
(2R)-1-methyl-2-(2-methylpentyl)azetidine
CID 155094740
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 115905500

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentyl)-1-propylpyrrolidine?
The IUPAC name of 3-(2-methylpentyl)-1-propylpyrrolidine (CID 123729662) is 3-(2-methylpentyl)-1-propylpyrrolidine.
What is the SMILES notation for 3-(2-methylpentyl)-1-propylpyrrolidine?
The canonical SMILES for 3-(2-methylpentyl)-1-propylpyrrolidine is CCCC(C)CC1CCN(CCC)C1.
What is the InChIKey of 3-(2-methylpentyl)-1-propylpyrrolidine?
The InChIKey is YHUCYLRYJXSKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-12(3)10-13-7-9-14(11-13)8-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-(2-methylpentyl)-1-propylpyrrolidine?
3-(2-methylpentyl)-1-propylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentyl)-1-propylpyrrolidine is sourced from PubChem (CID 123729662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).