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

C12H24N2O2 — CID 114466397

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCCO1
InChIInChI=1S/C12H24N2O2/c1-10(2)9-15-7-5-14-11(8-13)12-4-3-6-16-12/h11-12,14H,1,3-9,13H2,2H3
InChIKeyWOQWYEZTSHUHJO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.68
Rot. Bonds8

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

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 114466397) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID114466397
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCCO1
InChIInChI=1S/C12H24N2O2/c1-10(2)9-15-7-5-14-11(8-13)12-4-3-6-16-12/h11-12,14H,1,3-9,13H2,2H3
InChIKeyWOQWYEZTSHUHJO-UHFFFAOYSA-N
XLogP0.68
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.68
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-but-2-enoxyethyl)-1-(oxolan-2-yl)ethanamine
CID 76946734
N-(2-methoxyethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835116
1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 82835517
1-(oxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 82835518
N-(2-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 102697212
3-methyl-N-[1-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114449151
2-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 114465814
N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465942
1-(5-methyloxolan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466258
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-3-yl)ethane-1,2-diamine
CID 114466572
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 114467306

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine (CID 114466397) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine is C=C(C)COCCNC(CN)C1CCCO1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is WOQWYEZTSHUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)9-15-7-5-14-11(8-13)12-4-3-6-16-12/h11-12,14H,1,3-9,13H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114466397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).