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

C14H30N2O — CID 103069826

IUPAC2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CCO)CCCC
InChIInChI=1S/C14H30N2O/c1-6-7-8-16(9-10-17)12-13(2)11-15-14(3,4)5/h15,17H,2,6-12H2,1,3-5H3
InChIKeyXGDBISDXVQGDFO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.03
Rot. Bonds9

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

2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol (PubChem CID 103069826) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
PubChem CID103069826
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
SMILESC=C(CNC(C)(C)C)CN(CCO)CCCC
InChIInChI=1S/C14H30N2O/c1-6-7-8-16(9-10-17)12-13(2)11-15-14(3,4)5/h15,17H,2,6-12H2,1,3-5H3
InChIKeyXGDBISDXVQGDFO-UHFFFAOYSA-N
XLogP2.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.03
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

3-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]propan-1-ol
CID 103071277
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069188
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808
2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069967
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol (CID 103069826) is 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol is C=C(CNC(C)(C)C)CN(CCO)CCCC.
What is the InChIKey of 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol?
The InChIKey is XGDBISDXVQGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-7-8-16(9-10-17)12-13(2)11-15-14(3,4)5/h15,17H,2,6-12H2,1,3-5H3.
What are the key properties of 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol?
2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol has a molecular weight of 242.41 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).