N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine

C13H26N2O2 — CID 114466378

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCCOC1
InChIInChI=1S/C13H26N2O2/c1-11(2)9-17-7-5-15-13(8-14)12-4-3-6-16-10-12/h12-13,15H,1,3-10,14H2,2H3
InChIKeyOLVMQUYOOMBOJQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.92
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 114466378) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID114466378
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCCOC1
InChIInChI=1S/C13H26N2O2/c1-11(2)9-17-7-5-15-13(8-14)12-4-3-6-16-10-12/h12-13,15H,1,3-10,14H2,2H3
InChIKeyOLVMQUYOOMBOJQ-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 55241647
N-ethyl-N-(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63740410
N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63740581
N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63740765
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741293
N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741297
N-butan-2-yl-N-(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741646
N-(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741650
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741825
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
N-ethyl-N-(1-methoxypropan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742180
N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 81059106

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine (CID 114466378) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine is C=C(C)COCCNC(CN)C1CCCOC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is OLVMQUYOOMBOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)9-17-7-5-15-13(8-14)12-4-3-6-16-10-12/h12-13,15H,1,3-10,14H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 0.92, 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-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 114466378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).