2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine

C13H29N3O2 — CID 103409181

IUPAC2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
SMILESCOCCOCCCN1CCCN(CCN)CC1
InChIInChI=1S/C13H29N3O2/c1-17-12-13-18-11-3-7-15-5-2-6-16(8-4-14)10-9-15/h2-14H2,1H3
InChIKeyDVMBIGMOUHKQLQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.01
Rot. Bonds9

About 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine

2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine (PubChem CID 103409181) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
PubChem CID103409181
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
SMILESCOCCOCCCN1CCCN(CCN)CC1
InChIInChI=1S/C13H29N3O2/c1-17-12-13-18-11-3-7-15-5-2-6-16(8-4-14)10-9-15/h2-14H2,1H3
InChIKeyDVMBIGMOUHKQLQ-UHFFFAOYSA-N
XLogP0.01
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-[3-(2-methoxyethoxy)propyl]-4-methylazepan-4-ol
CID 107408407
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
CID 103409998
1,4-bis(2-methoxyethoxy)butane;1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(3-methoxypropoxy)hexane;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 158374038
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine (CID 103409181) is 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine is COCCOCCCN1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine?
The InChIKey is DVMBIGMOUHKQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-17-12-13-18-11-3-7-15-5-2-6-16(8-4-14)10-9-15/h2-14H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine?
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 103409181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).