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

C8H18N2O — CID 114466320

IUPACN'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNCCN
InChIInChI=1S/C8H18N2O/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,3-7,9H2,2H3
InChIKeyQGPIPLMMNDVZQC-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.13
Rot. Bonds7

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

N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (PubChem CID 114466320) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
PubChem CID114466320
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
SMILESC=C(C)COCCNCCN
InChIInChI=1S/C8H18N2O/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,3-7,9H2,2H3
InChIKeyQGPIPLMMNDVZQC-UHFFFAOYSA-N
XLogP0.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
N-methyl-2-(3-methylbut-2-enoxy)ethanamine
CID 58684011
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
N-(ethoxymethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 118403164
N'-(2-methoxyethyl)ethane-1,2-diamine;2-methylbut-2-ene
CID 144259040
Methanidyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 155624962

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine (CID 114466320) is N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is C=C(C)COCCNCCN.
What is the InChIKey of N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
The InChIKey is QGPIPLMMNDVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,3-7,9H2,2H3.
What are the key properties of N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine?
N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine has a molecular weight of 158.25 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114466320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).