1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

C13H26N2O2 — CID 114466258

IUPAC1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCC(C)O1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-16-7-6-15-12(8-14)13-5-4-11(3)17-13/h11-13,15H,1,4-9,14H2,2-3H3
InChIKeyFCONKJIDVJFJFL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.06
Rot. Bonds8

About 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine

1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114466258) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114466258
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCC(C)O1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-16-7-6-15-12(8-14)13-5-4-11(3)17-13/h11-13,15H,1,4-9,14H2,2-3H3
InChIKeyFCONKJIDVJFJFL-UHFFFAOYSA-N
XLogP1.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.06
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

1-(oxolan-2-yl)-N-(2-prop-2-enoxyethyl)ethanamine
CID 62572523
N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835115
1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 82835517
1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 82835932
N-(2-methoxypropyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 102697143
N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465942
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine
CID 114466397
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 114467306
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-2-yl)ethanamine
CID 114467316
1-(5-methyloxolan-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616059
N-(2-methylprop-2-enyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 114616130
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)propan-2-amine
CID 115894014

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 114466258) is 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNC(CN)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is FCONKJIDVJFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-16-7-6-15-12(8-14)13-5-4-11(3)17-13/h11-13,15H,1,4-9,14H2,2-3H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114466258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).