1-(tert-butylamino)butan-1-ol

C8H19NO — CID 57303917

IUPAC1-(tert-butylamino)butan-1-ol
SMILESCCCC(O)NC(C)(C)C
InChIInChI=1S/C8H19NO/c1-5-6-7(10)9-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyZIQBDTCBACDLIQ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.49
Rot. Bonds3

About 1-(tert-butylamino)butan-1-ol

1-(tert-butylamino)butan-1-ol (PubChem CID 57303917) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(tert-butylamino)butan-1-ol.

Molecular Properties

Compound Name1-(tert-butylamino)butan-1-ol
PubChem CID57303917
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(tert-butylamino)butan-1-ol
SMILESCCCC(O)NC(C)(C)C
InChIInChI=1S/C8H19NO/c1-5-6-7(10)9-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyZIQBDTCBACDLIQ-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)butan-1-ol?
The IUPAC name of 1-(tert-butylamino)butan-1-ol (CID 57303917) is 1-(tert-butylamino)butan-1-ol.
What is the SMILES notation for 1-(tert-butylamino)butan-1-ol?
The canonical SMILES for 1-(tert-butylamino)butan-1-ol is CCCC(O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)butan-1-ol?
The InChIKey is ZIQBDTCBACDLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-6-7(10)9-8(2,3)4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 1-(tert-butylamino)butan-1-ol?
1-(tert-butylamino)butan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)butan-1-ol is sourced from PubChem (CID 57303917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).