4-(3-methylazetidin-1-yl)butan-1-ol

C8H17NO — CID 106844124

IUPAC4-(3-methylazetidin-1-yl)butan-1-ol
SMILESCC1CN(CCCCO)C1
InChIInChI=1S/C8H17NO/c1-8-6-9(7-8)4-2-3-5-10/h8,10H,2-7H2,1H3
InChIKeyMTRNLCUWOLUCHQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds4

About 4-(3-methylazetidin-1-yl)butan-1-ol

4-(3-methylazetidin-1-yl)butan-1-ol (PubChem CID 106844124) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(3-methylazetidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methylazetidin-1-yl)butan-1-ol
PubChem CID106844124
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(3-methylazetidin-1-yl)butan-1-ol
SMILESCC1CN(CCCCO)C1
InChIInChI=1S/C8H17NO/c1-8-6-9(7-8)4-2-3-5-10/h8,10H,2-7H2,1H3
InChIKeyMTRNLCUWOLUCHQ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-hydroxyhexyl)azetidin-3-ol
CID 107706453
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 63221969
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 103738015
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
CID 130708552
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylazetidin-1-yl)butan-1-ol?
The IUPAC name of 4-(3-methylazetidin-1-yl)butan-1-ol (CID 106844124) is 4-(3-methylazetidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methylazetidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-methylazetidin-1-yl)butan-1-ol is CC1CN(CCCCO)C1.
What is the InChIKey of 4-(3-methylazetidin-1-yl)butan-1-ol?
The InChIKey is MTRNLCUWOLUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8-6-9(7-8)4-2-3-5-10/h8,10H,2-7H2,1H3.
What are the key properties of 4-(3-methylazetidin-1-yl)butan-1-ol?
4-(3-methylazetidin-1-yl)butan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylazetidin-1-yl)butan-1-ol is sourced from PubChem (CID 106844124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).