N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

C16H27N3O — CID 91836795

IUPACN-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(CC1CCCOC1)C1CC1
InChIInChI=1S/C16H27N3O/c1-12-16(13(2)18(3)17-12)10-19(15-6-7-15)9-14-5-4-8-20-11-14/h14-15H,4-11H2,1-3H3
InChIKeyFLDCIGDFSBZFRD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.43
Rot. Bonds5

About N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 91836795) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID91836795
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(CC1CCCOC1)C1CC1
InChIInChI=1S/C16H27N3O/c1-12-16(13(2)18(3)17-12)10-19(15-6-7-15)9-14-5-4-8-20-11-14/h14-15H,4-11H2,1-3H3
InChIKeyFLDCIGDFSBZFRD-UHFFFAOYSA-N
XLogP2.43
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 91836795) is N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is Cc1nn(C)c(C)c1CN(CC1CCCOC1)C1CC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is FLDCIGDFSBZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-16(13(2)18(3)17-12)10-19(15-6-7-15)9-14-5-4-8-20-11-14/h14-15H,4-11H2,1-3H3.
What are the key properties of N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 91836795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).