3-(cyclooctylmethylamino)propan-1-ol

C12H25NO — CID 115674336

IUPAC3-(cyclooctylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCCCC1
InChIInChI=1S/C12H25NO/c14-10-6-9-13-11-12-7-4-2-1-3-5-8-12/h12-14H,1-11H2
InChIKeyRQIPQJLKXFUXGZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 3-(cyclooctylmethylamino)propan-1-ol

3-(cyclooctylmethylamino)propan-1-ol (PubChem CID 115674336) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(cyclooctylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cyclooctylmethylamino)propan-1-ol
PubChem CID115674336
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(cyclooctylmethylamino)propan-1-ol
SMILESOCCCNCC1CCCCCCC1
InChIInChI=1S/C12H25NO/c14-10-6-9-13-11-12-7-4-2-1-3-5-8-12/h12-14H,1-11H2
InChIKeyRQIPQJLKXFUXGZ-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cycloundecylmethylamino)ethanol
CID 123930521
2-[3-(cyclooctylmethylamino)propoxy]ethanol
CID 113362814
2-[3-(cycloheptylmethylamino)propoxy]ethanol
CID 103992574
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylmethylamino)propan-1-ol?
The IUPAC name of 3-(cyclooctylmethylamino)propan-1-ol (CID 115674336) is 3-(cyclooctylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(cyclooctylmethylamino)propan-1-ol?
The canonical SMILES for 3-(cyclooctylmethylamino)propan-1-ol is OCCCNCC1CCCCCCC1.
What is the InChIKey of 3-(cyclooctylmethylamino)propan-1-ol?
The InChIKey is RQIPQJLKXFUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c14-10-6-9-13-11-12-7-4-2-1-3-5-8-12/h12-14H,1-11H2.
What are the key properties of 3-(cyclooctylmethylamino)propan-1-ol?
3-(cyclooctylmethylamino)propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylmethylamino)propan-1-ol is sourced from PubChem (CID 115674336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).