3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol

C10H24N2O2 — CID 107445809

IUPAC3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCCNC(C)(C)C
InChIInChI=1S/C10H24N2O2/c1-9(2,3)12-6-5-11-7-10(4,14)8-13/h11-14H,5-8H2,1-4H3
InChIKeyBDDWTEXHSHGVBV-UHFFFAOYSA-N
MW204.31 g/mol
LogP-0.29
Rot. Bonds6

About 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol

3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol (PubChem CID 107445809) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
PubChem CID107445809
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCCNC(C)(C)C
InChIInChI=1S/C10H24N2O2/c1-9(2,3)12-6-5-11-7-10(4,14)8-13/h11-14H,5-8H2,1-4H3
InChIKeyBDDWTEXHSHGVBV-UHFFFAOYSA-N
XLogP-0.29
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 79355887
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421
3-(2-cyclopropylethylamino)-2-methylpropane-1,2-diol
CID 66186922
2-methyl-3-(3-methylsulfanylpropylamino)propane-1,2-diol
CID 66169425
3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
CID 66186020
4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
CID 66187180
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol (CID 107445809) is 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCCNC(C)(C)C.
What is the InChIKey of 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol?
The InChIKey is BDDWTEXHSHGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-9(2,3)12-6-5-11-7-10(4,14)8-13/h11-14H,5-8H2,1-4H3.
What are the key properties of 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol?
3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol has a molecular weight of 204.31 g/mol, XLogP of -0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 107445809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).