3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol

C13H27NO — CID 83161632

IUPAC3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)CCCN1CCCC1CCCO
InChIInChI=1S/C13H27NO/c1-12(2)6-3-9-14-10-4-7-13(14)8-5-11-15/h12-13,15H,3-11H2,1-2H3
InChIKeyMIJXZABEOZIFIT-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds7

About 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 83161632) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID83161632
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)CCCN1CCCC1CCCO
InChIInChI=1S/C13H27NO/c1-12(2)6-3-9-14-10-4-7-13(14)8-5-11-15/h12-13,15H,3-11H2,1-2H3
InChIKeyMIJXZABEOZIFIT-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroethyl)-1-(4-methylpentyl)piperidine
CID 83169323
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol (CID 83161632) is 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol is CC(C)CCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is MIJXZABEOZIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)6-3-9-14-10-4-7-13(14)8-5-11-15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 83161632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).