4-butyl-1-methylpyrrolidin-3-ol

C9H19NO — CID 140584543

IUPAC4-butyl-1-methylpyrrolidin-3-ol
SMILESCCCCC1CN(C)CC1O
InChIInChI=1S/C9H19NO/c1-3-4-5-8-6-10(2)7-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeyNUVQNRHDZGHNEA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds3

About 4-butyl-1-methylpyrrolidin-3-ol

4-butyl-1-methylpyrrolidin-3-ol (PubChem CID 140584543) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-butyl-1-methylpyrrolidin-3-ol
PubChem CID140584543
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butyl-1-methylpyrrolidin-3-ol
SMILESCCCCC1CN(C)CC1O
InChIInChI=1S/C9H19NO/c1-3-4-5-8-6-10(2)7-9(8)11/h8-9,11H,3-7H2,1-2H3
InChIKeyNUVQNRHDZGHNEA-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745
(3S,4R)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545349
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
3-butyl-1,4-dimethylpiperidine
CID 145095542
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
4-(cyclopentylmethyl)-1-methylpyrrolidin-3-ol
CID 145293090
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
4-butylthiolan-3-ol
CID 83190040
(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpyrrolidin-3-ol?
The IUPAC name of 4-butyl-1-methylpyrrolidin-3-ol (CID 140584543) is 4-butyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-butyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for 4-butyl-1-methylpyrrolidin-3-ol is CCCCC1CN(C)CC1O.
What is the InChIKey of 4-butyl-1-methylpyrrolidin-3-ol?
The InChIKey is NUVQNRHDZGHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-8-6-10(2)7-9(8)11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-butyl-1-methylpyrrolidin-3-ol?
4-butyl-1-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 140584543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).