N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine

C15H25N3O — CID 103274208

IUPACN-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1OC1(CCNC2CC2)CCC1
InChIInChI=1S/C15H25N3O/c1-11-14(12(2)18(3)17-11)19-15(7-4-8-15)9-10-16-13-5-6-13/h13,16H,4-10H2,1-3H3
InChIKeyPRXHRCMCTNNKRD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine (PubChem CID 103274208) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine
PubChem CID103274208
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1OC1(CCNC2CC2)CCC1
InChIInChI=1S/C15H25N3O/c1-11-14(12(2)18(3)17-11)19-15(7-4-8-15)9-10-16-13-5-6-13/h13,16H,4-10H2,1-3H3
InChIKeyPRXHRCMCTNNKRD-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine (CID 103274208) is N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine is Cc1nn(C)c(C)c1OC1(CCNC2CC2)CCC1.
What is the InChIKey of N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine?
The InChIKey is PRXHRCMCTNNKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-14(12(2)18(3)17-11)19-15(7-4-8-15)9-10-16-13-5-6-13/h13,16H,4-10H2,1-3H3.
What are the key properties of N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,3,5-trimethylpyrazol-4-yl)oxycyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103274208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).