1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol

C14H27NO2 — CID 21296271

IUPAC1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COC(C1CC1)C1CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)15-8-12(16)9-17-13(10-4-5-10)11-6-7-11/h10-13,15-16H,4-9H2,1-3H3
InChIKeyVEVOYGOKIZRJNA-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.94
Rot. Bonds7

About 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol

1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol (PubChem CID 21296271) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol
PubChem CID21296271
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COC(C1CC1)C1CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)15-8-12(16)9-17-13(10-4-5-10)11-6-7-11/h10-13,15-16H,4-9H2,1-3H3
InChIKeyVEVOYGOKIZRJNA-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol (CID 21296271) is 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol is CC(C)(C)NCC(O)COC(C1CC1)C1CC1.
What is the InChIKey of 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol?
The InChIKey is VEVOYGOKIZRJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)15-8-12(16)9-17-13(10-4-5-10)11-6-7-11/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol?
1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(dicyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 21296271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).