4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine

C11H24N2O2 — CID 103387634

IUPAC4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
SMILESC=COCCCNC(CCCN)COC
InChIInChI=1S/C11H24N2O2/c1-3-15-9-5-8-13-11(10-14-2)6-4-7-12/h3,11,13H,1,4-10,12H2,2H3
InChIKeyGXAGOZGTZQUSTN-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.88
Rot. Bonds11

About 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine

4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387634) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
PubChem CID103387634
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
SMILESC=COCCCNC(CCCN)COC
InChIInChI=1S/C11H24N2O2/c1-3-15-9-5-8-13-11(10-14-2)6-4-7-12/h3,11,13H,1,4-10,12H2,2H3
InChIKeyGXAGOZGTZQUSTN-UHFFFAOYSA-N
XLogP0.88
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
CID 103389871
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
2-[(5-amino-1-methoxypentan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103390835
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
CID 103387429
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
CID 106396139
5-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentane-1,4-diamine
CID 106039419

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine (CID 103387634) is 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine is C=COCCCNC(CCCN)COC.
What is the InChIKey of 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine?
The InChIKey is GXAGOZGTZQUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-15-9-5-8-13-11(10-14-2)6-4-7-12/h3,11,13H,1,4-10,12H2,2H3.
What are the key properties of 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine?
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).