2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol

C15H31NO3 — CID 55094579

IUPAC2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol
SMILESCOCCCN(CCOC)CC1CCCCCC1O
InChIInChI=1S/C15H31NO3/c1-18-11-6-9-16(10-12-19-2)13-14-7-4-3-5-8-15(14)17/h14-15,17H,3-13H2,1-2H3
InChIKeyLGCRKDNOBXNIND-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.91
Rot. Bonds9

About 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol

2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol (PubChem CID 55094579) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol
PubChem CID55094579
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol
SMILESCOCCCN(CCOC)CC1CCCCCC1O
InChIInChI=1S/C15H31NO3/c1-18-11-6-9-16(10-12-19-2)13-14-7-4-3-5-8-15(14)17/h14-15,17H,3-13H2,1-2H3
InChIKeyLGCRKDNOBXNIND-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609555
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609559
2-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609564
2-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cycloheptan-1-ol
CID 65530111
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
CID 107487173
2-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 113965226
2-[[2,2-Difluoroethyl(methyl)amino]methyl]cycloheptan-1-ol
CID 116317759
2-[(Dimethylamino)methyl]cycloheptan-1-ol
CID 62609715
3-(2-Decan-2-ylmorpholin-4-yl)propan-1-ol
CID 70282197
2-[(Dimethylamino)methyl]cyclododecan-1-ol
CID 71082364
4-Hexadecyl-1-[(4-hexadecyl-2-hydroxyicosyl)-(2-hydroxyethyl)amino]icosan-2-ol
CID 87253731
5-[13-[Bis(2-hydroxyethyl)amino]tridecyl]henicosan-2-ol
CID 88484550

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol (CID 55094579) is 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol is COCCCN(CCOC)CC1CCCCCC1O.
What is the InChIKey of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is LGCRKDNOBXNIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-18-11-6-9-16(10-12-19-2)13-14-7-4-3-5-8-15(14)17/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol?
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55094579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).