N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine

C12H21N3O — CID 62430564

IUPACN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
SMILESCCCCN(Cc1cc(CN)no1)C1CC1
InChIInChI=1S/C12H21N3O/c1-2-3-6-15(11-4-5-11)9-12-7-10(8-13)14-16-12/h7,11H,2-6,8-9,13H2,1H3
InChIKeyUUAGJKSYWMOEOJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds7

About N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine (PubChem CID 62430564) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
PubChem CID62430564
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
SMILESCCCCN(Cc1cc(CN)no1)C1CC1
InChIInChI=1S/C12H21N3O/c1-2-3-6-15(11-4-5-11)9-12-7-10(8-13)14-16-12/h7,11H,2-6,8-9,13H2,1H3
InChIKeyUUAGJKSYWMOEOJ-UHFFFAOYSA-N
XLogP1.90
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429312
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62411963
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 62412799
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64520685
5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
CID 62422353
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63683904
2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline
CID 55037213

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine (CID 62430564) is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine is CCCCN(Cc1cc(CN)no1)C1CC1.
What is the InChIKey of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine?
The InChIKey is UUAGJKSYWMOEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-6-15(11-4-5-11)9-12-7-10(8-13)14-16-12/h7,11H,2-6,8-9,13H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine?
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine is sourced from PubChem (CID 62430564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).