4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine

C13H28N2O2 — CID 106675828

IUPAC4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CC(C)(C)OC
InChIInChI=1S/C13H28N2O2/c1-11(2)10-17-7-6-15-12(9-14)8-13(3,4)16-5/h12,15H,1,6-10,14H2,2-5H3
InChIKeyRRKDYRXDYVXWQI-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.31
Rot. Bonds10

About 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine

4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (PubChem CID 106675828) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
PubChem CID106675828
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CC(C)(C)OC
InChIInChI=1S/C13H28N2O2/c1-11(2)10-17-7-6-15-12(9-14)8-13(3,4)16-5/h12,15H,1,6-10,14H2,2-5H3
InChIKeyRRKDYRXDYVXWQI-UHFFFAOYSA-N
XLogP1.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
CID 106675666
1-(aminomethyl)-3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822338
1-(aminomethyl)-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 106822339
3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114200861
2-(methoxymethyl)-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466162
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
4-methoxy-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]butane-1,2-diamine
CID 114466218
4,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466224
4-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466228
4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466231
2,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466344
2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466369

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine (CID 106675828) is 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is C=C(C)COCCNC(CN)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
The InChIKey is RRKDYRXDYVXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)10-17-7-6-15-12(9-14)8-13(3,4)16-5/h12,15H,1,6-10,14H2,2-5H3.
What are the key properties of 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine?
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 106675828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).