N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine

C15H24N2OS — CID 51080746

IUPACN-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(CC2CCOC2)C2CC2)cs1
InChIInChI=1S/C15H24N2OS/c1-11(2)15-16-13(10-19-15)8-17(14-3-4-14)7-12-5-6-18-9-12/h10-12,14H,3-9H2,1-2H3
InChIKeyNCDIZQBWDJTMKL-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.27
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine

N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine (PubChem CID 51080746) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
PubChem CID51080746
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCC(C)c1nc(CN(CC2CCOC2)C2CC2)cs1
InChIInChI=1S/C15H24N2OS/c1-11(2)15-16-13(10-19-15)8-17(14-3-4-14)7-12-5-6-18-9-12/h10-12,14H,3-9H2,1-2H3
InChIKeyNCDIZQBWDJTMKL-UHFFFAOYSA-N
XLogP3.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine (CID 51080746) is N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine is CC(C)c1nc(CN(CC2CCOC2)C2CC2)cs1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is NCDIZQBWDJTMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)15-16-13(10-19-15)8-17(14-3-4-14)7-12-5-6-18-9-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 280.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 51080746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).