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

C12H26N2O — CID 114466369

IUPAC2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CCCC
InChIInChI=1S/C12H26N2O/c1-4-5-6-12(9-13)14-7-8-15-10-11(2)3/h12,14H,2,4-10,13H2,1,3H3
InChIKeyFIACBTJYKSTEPI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.69
Rot. Bonds10

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

2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine (PubChem CID 114466369) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
PubChem CID114466369
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
SMILESC=C(C)COCCNC(CN)CCCC
InChIInChI=1S/C12H26N2O/c1-4-5-6-12(9-13)14-7-8-15-10-11(2)3/h12,14H,2,4-10,13H2,1,3H3
InChIKeyFIACBTJYKSTEPI-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.69
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

6,6,6-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]hexan-2-amine
CID 113586410
6,6,6-trifluoro-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466706
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
N-(2-prop-2-enoxyethyl)heptan-2-amine
CID 62571290
2-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfanylpentane-1,2-diamine
CID 103089093
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
CID 103391180
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103563190
1-(aminomethyl)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 103563191
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutanamine
CID 104005635

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine (CID 114466369) is 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine is C=C(C)COCCNC(CN)CCCC.
What is the InChIKey of 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The InChIKey is FIACBTJYKSTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-6-12(9-13)14-7-8-15-10-11(2)3/h12,14H,2,4-10,13H2,1,3H3.
What are the key properties of 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine is sourced from PubChem (CID 114466369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).