1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol

C14H29NO4 — CID 106988270

IUPAC1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COC1(CN)CCCCCC1
InChIInChI=1S/C14H29NO4/c1-17-8-9-18-10-13(16)11-19-14(12-15)6-4-2-3-5-7-14/h13,16H,2-12,15H2,1H3
InChIKeyPOINSEIAMVDOMK-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.08
Rot. Bonds9

About 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol

1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988270) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988270
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COC1(CN)CCCCCC1
InChIInChI=1S/C14H29NO4/c1-17-8-9-18-10-13(16)11-19-14(12-15)6-4-2-3-5-7-14/h13,16H,2-12,15H2,1H3
InChIKeyPOINSEIAMVDOMK-UHFFFAOYSA-N
XLogP1.08
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol
CID 82842414
1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991237
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
CID 65052823
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447736
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol (CID 106988270) is 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COC1(CN)CCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is POINSEIAMVDOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-17-8-9-18-10-13(16)11-19-14(12-15)6-4-2-3-5-7-14/h13,16H,2-12,15H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol?
1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).