3-(tert-butylamino)prop-1-en-2-ol

C7H15NO — CID 170290410

IUPAC3-(tert-butylamino)prop-1-en-2-ol
SMILESC=C(O)CNC(C)(C)C
InChIInChI=1S/C7H15NO/c1-6(9)5-8-7(2,3)4/h8-9H,1,5H2,2-4H3
InChIKeyRZDNWOIACCQKCA-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.45
Rot. Bonds2

About 3-(tert-butylamino)prop-1-en-2-ol

3-(tert-butylamino)prop-1-en-2-ol (PubChem CID 170290410) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(tert-butylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(tert-butylamino)prop-1-en-2-ol
PubChem CID170290410
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(tert-butylamino)prop-1-en-2-ol
SMILESC=C(O)CNC(C)(C)C
InChIInChI=1S/C7H15NO/c1-6(9)5-8-7(2,3)4/h8-9H,1,5H2,2-4H3
InChIKeyRZDNWOIACCQKCA-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-(prop-2-enylamino)propan-2-ol
CID 39235006
3-(Ethylamino)prop-1-en-2-ol
CID 87786158
3-(Prop-1-en-2-ylamino)prop-1-en-2-ol
CID 88008143
3-(Ethylamino)-3-methylbut-1-en-2-ol
CID 88271094
3-(Methylamino)prop-1-en-2-ol
CID 88482880
3-(Prop-2-enylamino)prop-1-en-2-ol
CID 88629766
3-(2-Methylpropylamino)prop-1-en-2-ol
CID 88868794
3-(Propan-2-ylamino)prop-1-en-2-ol
CID 122548912
3-(Propan-2-ylamino)but-1-en-2-ol
CID 148850805
3-Methyl-3-(methylamino)but-1-en-2-ol
CID 23599168
3-(Propylamino)prop-1-en-2-ol
CID 145571215
3-(Butylamino)prop-1-en-2-ol
CID 146870024

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)prop-1-en-2-ol?
The IUPAC name of 3-(tert-butylamino)prop-1-en-2-ol (CID 170290410) is 3-(tert-butylamino)prop-1-en-2-ol.
What is the SMILES notation for 3-(tert-butylamino)prop-1-en-2-ol?
The canonical SMILES for 3-(tert-butylamino)prop-1-en-2-ol is C=C(O)CNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)prop-1-en-2-ol?
The InChIKey is RZDNWOIACCQKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9)5-8-7(2,3)4/h8-9H,1,5H2,2-4H3.
What are the key properties of 3-(tert-butylamino)prop-1-en-2-ol?
3-(tert-butylamino)prop-1-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)prop-1-en-2-ol is sourced from PubChem (CID 170290410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).