2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine

C10H23N3O — CID 62832411

IUPAC2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CCCNCC1
InChIInChI=1S/C10H23N3O/c1-14-10-6-12-5-9-13-7-2-3-11-4-8-13/h11-12H,2-10H2,1H3
InChIKeyKGCBLCVBHKXSQW-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.48
Rot. Bonds6

About 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine

2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 62832411) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID62832411
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CCCNCC1
InChIInChI=1S/C10H23N3O/c1-14-10-6-12-5-9-13-7-2-3-11-4-8-13/h11-12H,2-10H2,1H3
InChIKeyKGCBLCVBHKXSQW-UHFFFAOYSA-N
XLogP-0.48
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
1-(methoxymethyl)-1,4-diazepane
CID 174500454
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62575106
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 83030295
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine (CID 62832411) is 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is KGCBLCVBHKXSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-14-10-6-12-5-9-13-7-2-3-11-4-8-13/h11-12H,2-10H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 201.31 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62832411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).