2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol

C14H29NO2 — CID 80603367

IUPAC2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)C1(CN)CCCCCCC1
InChIInChI=1S/C14H29NO2/c1-13(16,10-11-17-2)14(12-15)8-6-4-3-5-7-9-14/h16H,3-12,15H2,1-2H3
InChIKeyNCCYVJCJXZEVDU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.46
Rot. Bonds5

About 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol

2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol (PubChem CID 80603367) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol
PubChem CID80603367
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)C1(CN)CCCCCCC1
InChIInChI=1S/C14H29NO2/c1-13(16,10-11-17-2)14(12-15)8-6-4-3-5-7-9-14/h16H,3-12,15H2,1-2H3
InChIKeyNCCYVJCJXZEVDU-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-4-methoxybutan-2-ol
CID 79134839
2-[1-(aminomethyl)cyclopentyl]-1-methoxybutan-2-ol
CID 79124394
[1-(2-fluoropropan-2-yl)cyclohexyl]methanamine
CID 83816490
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]butan-2-ol
CID 79127863
1-amino-2-(1-methylcyclohexyl)propan-2-ol
CID 139026363
1-[1-(aminomethyl)cyclooctyl]-1-(2,5-dimethylphenyl)ethanol
CID 80610563
(3-methoxy-3-methylbutyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 106666128
2-[1-(aminomethyl)-3-ethylcyclohexyl]-1-ethoxypropan-2-ol
CID 113493350
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol (CID 80603367) is 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol is COCCC(C)(O)C1(CN)CCCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol?
The InChIKey is NCCYVJCJXZEVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(16,10-11-17-2)14(12-15)8-6-4-3-5-7-9-14/h16H,3-12,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol?
2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclooctyl]-4-methoxybutan-2-ol is sourced from PubChem (CID 80603367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).