3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine

C14H30N2O — CID 114200861

IUPAC3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(C)CC(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)8-13(5)14(9-15)16-6-7-17-10-12(3)4/h11,13-14,16H,3,6-10,15H2,1-2,4-5H3
InChIKeyXDXRFVSEWWHMEG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.18
Rot. Bonds10

About 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine

3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine (PubChem CID 114200861) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine.

Molecular Properties

Compound Name3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
PubChem CID114200861
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C(C)CC(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)8-13(5)14(9-15)16-6-7-17-10-12(3)4/h11,13-14,16H,3,6-10,15H2,1-2,4-5H3
InChIKeyXDXRFVSEWWHMEG-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.18
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-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine
CID 114466706
5-methyl-N-(2-prop-2-enoxyethyl)hexan-2-amine
CID 62571125
1,2,5-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 75515405
N-(2-but-2-enoxyethyl)-5-methylhexan-2-amine
CID 76946801
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
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
3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentan-1-amine
CID 104531399
2-(2-methylprop-2-enoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634499
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 106675828

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The IUPAC name of 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine (CID 114200861) is 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine.
What is the SMILES notation for 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The canonical SMILES for 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine is C=C(C)COCCNC(CN)C(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
The InChIKey is XDXRFVSEWWHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)8-13(5)14(9-15)16-6-7-17-10-12(3)4/h11,13-14,16H,3,6-10,15H2,1-2,4-5H3.
What are the key properties of 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine?
3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]hexane-1,2-diamine is sourced from PubChem (CID 114200861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).