1-(4-methylpentyl)-2-propan-2-ylpyrrolidine

C13H27N — CID 163278091

IUPAC1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)CCCN1CCCC1C(C)C
InChIInChI=1S/C13H27N/c1-11(2)7-5-9-14-10-6-8-13(14)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyINTFIXDMWXSLRF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine

1-(4-methylpentyl)-2-propan-2-ylpyrrolidine (PubChem CID 163278091) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
PubChem CID163278091
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)CCCN1CCCC1C(C)C
InChIInChI=1S/C13H27N/c1-11(2)7-5-9-14-10-6-8-13(14)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyINTFIXDMWXSLRF-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride
CID 112594739
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
CID 79568823
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
2-(2-chloroethyl)-1-(4-methylpentyl)piperidine
CID 83169323
2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 106806356
5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine (CID 163278091) is 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine is CC(C)CCCN1CCCC1C(C)C.
What is the InChIKey of 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine?
The InChIKey is INTFIXDMWXSLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)7-5-9-14-10-6-8-13(14)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine?
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 163278091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).