3-(tert-butylamino)propan-1-ol

C7H17NO — CID 3844519

IUPAC3-(tert-butylamino)propan-1-ol
SMILESCC(C)(C)NCCCO
InChIInChI=1S/C7H17NO/c1-7(2,3)8-5-4-6-9/h8-9H,4-6H2,1-3H3
InChIKeyPGOFJDZYVIIGGD-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds3

About 3-(tert-butylamino)propan-1-ol

3-(tert-butylamino)propan-1-ol (PubChem CID 3844519) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-(tert-butylamino)propan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)propan-1-ol
PubChem CID3844519
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-(tert-butylamino)propan-1-ol
SMILESCC(C)(C)NCCCO
InChIInChI=1S/C7H17NO/c1-7(2,3)8-5-4-6-9/h8-9H,4-6H2,1-3H3
InChIKeyPGOFJDZYVIIGGD-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)propan-1-ol?
The IUPAC name of 3-(tert-butylamino)propan-1-ol (CID 3844519) is 3-(tert-butylamino)propan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)propan-1-ol?
The canonical SMILES for 3-(tert-butylamino)propan-1-ol is CC(C)(C)NCCCO.
What is the InChIKey of 3-(tert-butylamino)propan-1-ol?
The InChIKey is PGOFJDZYVIIGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)8-5-4-6-9/h8-9H,4-6H2,1-3H3.
What are the key properties of 3-(tert-butylamino)propan-1-ol?
3-(tert-butylamino)propan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)propan-1-ol is sourced from PubChem (CID 3844519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).