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

C13H21N3O — CID 64522082

IUPACN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
SMILESCNCc1cc(CN(CC2CC2)C2CC2)on1
InChIInChI=1S/C13H21N3O/c1-14-7-11-6-13(17-15-11)9-16(12-4-5-12)8-10-2-3-10/h6,10,12,14H,2-5,7-9H2,1H3
InChIKeyXGHZDAWRKGKSSK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds7

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

N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine (PubChem CID 64522082) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
PubChem CID64522082
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
SMILESCNCc1cc(CN(CC2CC2)C2CC2)on1
InChIInChI=1S/C13H21N3O/c1-14-7-11-6-13(17-15-11)9-16(12-4-5-12)8-10-2-3-10/h6,10,12,14H,2-5,7-9H2,1H3
InChIKeyXGHZDAWRKGKSSK-UHFFFAOYSA-N
XLogP1.77
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine (CID 64522082) is N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine is CNCc1cc(CN(CC2CC2)C2CC2)on1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XGHZDAWRKGKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-7-11-6-13(17-15-11)9-16(12-4-5-12)8-10-2-3-10/h6,10,12,14H,2-5,7-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine?
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64522082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).