N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C16H29N3O — CID 62418473

IUPACN-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CCCC)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C16H29N3O/c1-3-5-9-19(10-6-4-2)13-16-11-15(18-20-16)12-17-14-7-8-14/h11,14,17H,3-10,12-13H2,1-2H3
InChIKeyRTOHEHQRKGXIAQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.33
Rot. Bonds11

About N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62418473) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62418473
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CCCC)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C16H29N3O/c1-3-5-9-19(10-6-4-2)13-16-11-15(18-20-16)12-17-14-7-8-14/h11,14,17H,3-10,12-13H2,1-2H3
InChIKeyRTOHEHQRKGXIAQ-UHFFFAOYSA-N
XLogP3.33
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62418473) is N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CCCCN(CCCC)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is RTOHEHQRKGXIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-5-9-19(10-6-4-2)13-16-11-15(18-20-16)12-17-14-7-8-14/h11,14,17H,3-10,12-13H2,1-2H3.
What are the key properties of N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 3.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62418473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).