N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C12H20N2O — CID 79145469

IUPACN-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)CCc1ocnc1CNC1CC1
InChIInChI=1S/C12H20N2O/c1-9(2)3-6-12-11(14-8-15-12)7-13-10-4-5-10/h8-10,13H,3-7H2,1-2H3
InChIKeyZZCPGPLFNLECKC-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.52
Rot. Bonds6

About N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79145469) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79145469
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)CCc1ocnc1CNC1CC1
InChIInChI=1S/C12H20N2O/c1-9(2)3-6-12-11(14-8-15-12)7-13-10-4-5-10/h8-10,13H,3-7H2,1-2H3
InChIKeyZZCPGPLFNLECKC-UHFFFAOYSA-N
XLogP2.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144806
N-[[5-[2-(2-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145750
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144897
[5-(3-methylbutyl)-1,3-oxazol-4-yl]methanol
CID 79145900
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 79144994
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183913
N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 79145851
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145839
N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 107186259
N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385
N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145769

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79145469) is N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is CC(C)CCc1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZZCPGPLFNLECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)3-6-12-11(14-8-15-12)7-13-10-4-5-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 208.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79145469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).