2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol

C13H28N2O — CID 103069967

IUPAC2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CCO)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(7-8-16)10-12(3)9-14-13(4,5)6/h11,14,16H,3,7-10H2,1-2,4-6H3
InChIKeyMNMHMYNUAYJNHM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.63
Rot. Bonds7

About 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol

2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol (PubChem CID 103069967) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
PubChem CID103069967
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CCO)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(7-8-16)10-12(3)9-14-13(4,5)6/h11,14,16H,3,7-10H2,1-2,4-6H3
InChIKeyMNMHMYNUAYJNHM-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069826
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 79256541
3-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]propan-1-ol
CID 103071277
4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
CID 103071291
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
CID 62392050
2-[2-hydroxyethyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 60691703
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808
2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
CID 62272801
2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
CID 176601530
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol (CID 103069967) is 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol is C=C(CNC(C)(C)C)CN(CCO)C(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol?
The InChIKey is MNMHMYNUAYJNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(7-8-16)10-12(3)9-14-13(4,5)6/h11,14,16H,3,7-10H2,1-2,4-6H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol?
2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 103069967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).