2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde

C10H19NO2 — CID 79123517

IUPAC2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde
SMILESNCC1(C(O)C=O)CCCCCC1
InChIInChI=1S/C10H19NO2/c11-8-10(9(13)7-12)5-3-1-2-4-6-10/h7,9,13H,1-6,8,11H2
InChIKeyKFGSHTNMCPIDGT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.85
Rot. Bonds3

About 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde

2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde (PubChem CID 79123517) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde
PubChem CID79123517
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde
SMILESNCC1(C(O)C=O)CCCCCC1
InChIInChI=1S/C10H19NO2/c11-8-10(9(13)7-12)5-3-1-2-4-6-10/h7,9,13H,1-6,8,11H2
InChIKeyKFGSHTNMCPIDGT-UHFFFAOYSA-N
XLogP0.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
[1-(aminomethyl)cyclobutyl]-(2,2-dimethylcyclopropyl)methanol
CID 165443186
1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol
CID 79123314
1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol
CID 116505141
[1-(aminomethyl)cyclopropyl]-(1-methylcyclobutyl)methanol
CID 165445368
1-[1-(aminomethyl)cyclopentyl]-2-methylpentan-1-ol
CID 79138410
1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
CID 79138497
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
CID 165447050
[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
CID 79138649
2-[1-(aminomethyl)cyclohexyl]propyl nitrate
CID 142653717
3-[1-(aminomethyl)cyclobutyl]butan-1-ol
CID 71758156
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde (CID 79123517) is 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde is NCC1(C(O)C=O)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde?
The InChIKey is KFGSHTNMCPIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-8-10(9(13)7-12)5-3-1-2-4-6-10/h7,9,13H,1-6,8,11H2.
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde?
2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde has a molecular weight of 185.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde is sourced from PubChem (CID 79123517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).