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

C14H25N3O — CID 55074758

IUPACN-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCC(CC)N(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C14H25N3O/c1-4-13(5-2)17(3)10-14-8-12(16-18-14)9-15-11-6-7-11/h8,11,13,15H,4-7,9-10H2,1-3H3
InChIKeyVCVYMNBRVLDGHX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds8

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

N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 55074758) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID55074758
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCC(CC)N(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C14H25N3O/c1-4-13(5-2)17(3)10-14-8-12(16-18-14)9-15-11-6-7-11/h8,11,13,15H,4-7,9-10H2,1-3H3
InChIKeyVCVYMNBRVLDGHX-UHFFFAOYSA-N
XLogP2.55
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 55074758) is N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CCC(CC)N(C)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is VCVYMNBRVLDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-13(5-2)17(3)10-14-8-12(16-18-14)9-15-11-6-7-11/h8,11,13,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55074758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).