N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine

C15H29NO2 — CID 79365980

IUPACN-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1C1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-17-11-9-16-12-14-8-10-18-15(14)13-6-4-2-3-5-7-13/h13-16H,2-12H2,1H3
InChIKeyIVGFOPVTIODPJQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds6

About N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine

N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine (PubChem CID 79365980) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine
PubChem CID79365980
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1C1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-17-11-9-16-12-14-8-10-18-15(14)13-6-4-2-3-5-7-13/h13-16H,2-12H2,1H3
InChIKeyIVGFOPVTIODPJQ-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
CID 114207979
N-[(2-cyclopentyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79367525
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79370684
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 113394148
N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114489396
N-[[2-(2,6-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365400

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine (CID 79365980) is N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine is COCCNCC1CCOC1C1CCCCCC1.
What is the InChIKey of N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is IVGFOPVTIODPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-17-11-9-16-12-14-8-10-18-15(14)13-6-4-2-3-5-7-13/h13-16H,2-12H2,1H3.
What are the key properties of N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine?
N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79365980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).