5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine

C13H30N2O3 — CID 103390928

IUPAC5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
SMILESCOCCOCCCCNC(CCCN)COC
InChIInChI=1S/C13H30N2O3/c1-16-10-11-18-9-4-3-8-15-13(12-17-2)6-5-7-14/h13,15H,3-12,14H2,1-2H3
InChIKeyHNIUURSAUCVYFF-UHFFFAOYSA-N
MW262.39 g/mol
LogP0.77
Rot. Bonds14

About 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine

5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine (PubChem CID 103390928) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
PubChem CID103390928
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
SMILESCOCCOCCCCNC(CCCN)COC
InChIInChI=1S/C13H30N2O3/c1-16-10-11-18-9-4-3-8-15-13(12-17-2)6-5-7-14/h13,15H,3-12,14H2,1-2H3
InChIKeyHNIUURSAUCVYFF-UHFFFAOYSA-N
XLogP0.77
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine
CID 115715449
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
CID 103387634
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine (CID 103390928) is 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine is COCCOCCCCNC(CCCN)COC.
What is the InChIKey of 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine?
The InChIKey is HNIUURSAUCVYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-16-10-11-18-9-4-3-8-15-13(12-17-2)6-5-7-14/h13,15H,3-12,14H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine?
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine has a molecular weight of 262.39 g/mol, XLogP of 0.77, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine is sourced from PubChem (CID 103390928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).