4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol

C13H28N2O — CID 103071291

IUPAC4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
SMILESC=C(CNC(C)(C)C)CN(C)CCC(C)O
InChIInChI=1S/C13H28N2O/c1-11(9-14-13(3,4)5)10-15(6)8-7-12(2)16/h12,14,16H,1,7-10H2,2-6H3
InChIKeyKOHJIRNPOURIRE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.63
Rot. Bonds7

About 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol

4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol (PubChem CID 103071291) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
PubChem CID103071291
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
SMILESC=C(CNC(C)(C)C)CN(C)CCC(C)O
InChIInChI=1S/C13H28N2O/c1-11(9-14-13(3,4)5)10-15(6)8-7-12(2)16/h12,14,16H,1,7-10H2,2-6H3
InChIKeyKOHJIRNPOURIRE-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

N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309
2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069967
N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103071055
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069350
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
3-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]propan-1-ol
CID 103071277
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
CID 103070338
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069606
2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069826

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
The IUPAC name of 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol (CID 103071291) is 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol is C=C(CNC(C)(C)C)CN(C)CCC(C)O.
What is the InChIKey of 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
The InChIKey is KOHJIRNPOURIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(9-14-13(3,4)5)10-15(6)8-7-12(2)16/h12,14,16H,1,7-10H2,2-6H3.
What are the key properties of 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol?
4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol 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 4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol is sourced from PubChem (CID 103071291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).