N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine

C13H28N2O2 — CID 64569967

IUPACN-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC1CCCCCN1
InChIInChI=1S/C13H28N2O2/c1-16-10-8-15(9-11-17-2)12-13-6-4-3-5-7-14-13/h13-14H,3-12H2,1-2H3
InChIKeyUNAFNKOBLJGJCG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds8

About N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine

N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 64569967) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID64569967
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC1CCCCCN1
InChIInChI=1S/C13H28N2O2/c1-16-10-8-15(9-11-17-2)12-13-6-4-3-5-7-14-13/h13-14H,3-12H2,1-2H3
InChIKeyUNAFNKOBLJGJCG-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 64569967) is N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)CC1CCCCCN1.
What is the InChIKey of N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is UNAFNKOBLJGJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-16-10-8-15(9-11-17-2)12-13-6-4-3-5-7-14-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 64569967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).