3-[2-(tert-butylamino)ethylamino]butan-1-ol

C10H24N2O — CID 107446029

IUPAC3-[2-(tert-butylamino)ethylamino]butan-1-ol
SMILESCC(CCO)NCCNC(C)(C)C
InChIInChI=1S/C10H24N2O/c1-9(5-8-13)11-6-7-12-10(2,3)4/h9,11-13H,5-8H2,1-4H3
InChIKeyGPOVHTNRQMPPAX-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.74
Rot. Bonds6

About 3-[2-(tert-butylamino)ethylamino]butan-1-ol

3-[2-(tert-butylamino)ethylamino]butan-1-ol (PubChem CID 107446029) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethylamino]butan-1-ol
PubChem CID107446029
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-[2-(tert-butylamino)ethylamino]butan-1-ol
SMILESCC(CCO)NCCNC(C)(C)C
InChIInChI=1S/C10H24N2O/c1-9(5-8-13)11-6-7-12-10(2,3)4/h9,11-13H,5-8H2,1-4H3
InChIKeyGPOVHTNRQMPPAX-UHFFFAOYSA-N
XLogP0.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
CID 107445803
3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
3-(3-fluoropropylamino)butan-1-ol
CID 83177066
3-[2-(dimethylamino)ethylamino]butan-1-ol
CID 83176952
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
3-(ethylamino)butan-1-ol
CID 12636119
3-(octylamino)butan-1-ol
CID 83177243
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethylamino]butan-1-ol?
The IUPAC name of 3-[2-(tert-butylamino)ethylamino]butan-1-ol (CID 107446029) is 3-[2-(tert-butylamino)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[2-(tert-butylamino)ethylamino]butan-1-ol?
The canonical SMILES for 3-[2-(tert-butylamino)ethylamino]butan-1-ol is CC(CCO)NCCNC(C)(C)C.
What is the InChIKey of 3-[2-(tert-butylamino)ethylamino]butan-1-ol?
The InChIKey is GPOVHTNRQMPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(5-8-13)11-6-7-12-10(2,3)4/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 3-[2-(tert-butylamino)ethylamino]butan-1-ol?
3-[2-(tert-butylamino)ethylamino]butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethylamino]butan-1-ol is sourced from PubChem (CID 107446029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).