3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol

C12H28N2O — CID 106348698

IUPAC3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCCNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)11(6-9-15)13-7-8-14-12(3,4)5/h10-11,13-15H,6-9H2,1-5H3
InChIKeyDQNPJAHRJXGACY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.37
Rot. Bonds7

About 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol

3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol (PubChem CID 106348698) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
PubChem CID106348698
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCCNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)11(6-9-15)13-7-8-14-12(3,4)5/h10-11,13-15H,6-9H2,1-5H3
InChIKeyDQNPJAHRJXGACY-UHFFFAOYSA-N
XLogP1.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.37
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]butan-1-ol
CID 107446029
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
CID 107445803
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470448
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
CID 106349473
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
4-methyl-3-(2-methylidenebutylamino)pentan-1-ol
CID 104892117

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol (CID 106348698) is 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol is CC(C)C(CCO)NCCNC(C)(C)C.
What is the InChIKey of 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol?
The InChIKey is DQNPJAHRJXGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)11(6-9-15)13-7-8-14-12(3,4)5/h10-11,13-15H,6-9H2,1-5H3.
What are the key properties of 3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol?
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.37, 7 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]-4-methylpentan-1-ol is sourced from PubChem (CID 106348698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).