[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol

C17H35NO3 — CID 82941164

IUPAC[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
SMILESCCOCCN(CCOCC)CC1(CO)CCCCCC1
InChIInChI=1S/C17H35NO3/c1-3-20-13-11-18(12-14-21-4-2)15-17(16-19)9-7-5-6-8-10-17/h19H,3-16H2,1-2H3
InChIKeyBKZHXSOJCIZWOJ-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.69
Rot. Bonds11

About [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol

[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol (PubChem CID 82941164) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol.

Molecular Properties

Compound Name[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
PubChem CID82941164
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
SMILESCCOCCN(CCOCC)CC1(CO)CCCCCC1
InChIInChI=1S/C17H35NO3/c1-3-20-13-11-18(12-14-21-4-2)15-17(16-19)9-7-5-6-8-10-17/h19H,3-16H2,1-2H3
InChIKeyBKZHXSOJCIZWOJ-UHFFFAOYSA-N
XLogP2.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol?
The IUPAC name of [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol (CID 82941164) is [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol.
What is the SMILES notation for [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol?
The canonical SMILES for [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol is CCOCCN(CCOCC)CC1(CO)CCCCCC1.
What is the InChIKey of [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol?
The InChIKey is BKZHXSOJCIZWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-3-20-13-11-18(12-14-21-4-2)15-17(16-19)9-7-5-6-8-10-17/h19H,3-16H2,1-2H3.
What are the key properties of [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol?
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol has a molecular weight of 301.47 g/mol, XLogP of 2.69, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol is sourced from PubChem (CID 82941164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).