N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine

C16H33NO2 — CID 103415943

IUPACN-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1CCCOCCOC
InChIInChI=1S/C16H33NO2/c1-3-17-14-16-9-6-4-5-8-15(16)10-7-11-19-13-12-18-2/h15-17H,3-14H2,1-2H3
InChIKeyRQRPAIHGYWHVMP-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.24
Rot. Bonds10

About N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine

N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine (PubChem CID 103415943) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
PubChem CID103415943
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1CCCOCCOC
InChIInChI=1S/C16H33NO2/c1-3-17-14-16-9-6-4-5-8-15(16)10-7-11-19-13-12-18-2/h15-17H,3-14H2,1-2H3
InChIKeyRQRPAIHGYWHVMP-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.24
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

1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 81025570
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
N-[[2-(propoxymethyl)cycloheptyl]methyl]ethanamine
CID 81025294
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
CID 103183994
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
N-[[2-(2-iodoethyl)cyclopentyl]methyl]ethanamine
CID 156566247

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine (CID 103415943) is N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1CCCOCCOC.
What is the InChIKey of N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine?
The InChIKey is RQRPAIHGYWHVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-17-14-16-9-6-4-5-8-15(16)10-7-11-19-13-12-18-2/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine?
N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine has a molecular weight of 271.44 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 103415943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).