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

C12H26N2O — CID 103069512

IUPAC2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CC)CCO
InChIInChI=1S/C12H26N2O/c1-6-14(7-8-15)10-11(2)9-13-12(3,4)5/h13,15H,2,6-10H2,1,3-5H3
InChIKeySNGRBZGTHCSJCM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.24
Rot. Bonds7

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

2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol (PubChem CID 103069512) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol
PubChem CID103069512
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CC)CCO
InChIInChI=1S/C12H26N2O/c1-6-14(7-8-15)10-11(2)9-13-12(3,4)5/h13,15H,2,6-10H2,1,3-5H3
InChIKeySNGRBZGTHCSJCM-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-Methylprop-2-en-1-yl)amino]ethan-1-ol
CID 19100967
(3S)-1,5-ditert-butyl-7-methylidene-1,5-diazocan-1-ium-3-ol iodide
CID 139065050
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484771
2-[2,2-Difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484773
2-[2,2-Difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 107484777
2-[2,2-Difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484778
2-[2,2-Difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484785
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484795
2-[2-[(Propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484800
2-[2-(Methylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484801
2-[2-(Ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[2-(Propylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol (CID 103069512) is 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol is C=C(CNC(C)(C)C)CN(CC)CCO.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol?
The InChIKey is SNGRBZGTHCSJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-14(7-8-15)10-11(2)9-13-12(3,4)5/h13,15H,2,6-10H2,1,3-5H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol?
2-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.24, 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-ethylamino]ethanol is sourced from PubChem (CID 103069512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).