1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H29NO4 — CID 106991237

IUPAC1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO4/c1-17-8-9-18-10-13(16)11-19-12-14(15)6-4-2-3-5-7-14/h13,16H,2-12,15H2,1H3
InChIKeyMRGFJVDGTCWULI-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.08
Rot. Bonds9

About 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991237) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991237
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)COCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO4/c1-17-8-9-18-10-13(16)11-19-12-14(15)6-4-2-3-5-7-14/h13,16H,2-12,15H2,1H3
InChIKeyMRGFJVDGTCWULI-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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol
CID 106988270
3-[(1-aminocyclohexyl)methoxy]-2-methylpropanamide
CID 64574200
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
CID 64572066
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119404560
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106991237) is 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)COCC1(N)CCCCCC1.
What is the InChIKey of 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is MRGFJVDGTCWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-17-8-9-18-10-13(16)11-19-12-14(15)6-4-2-3-5-7-14/h13,16H,2-12,15H2,1H3.
What are the key properties of 1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[(1-aminocycloheptyl)methoxy]-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-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).