N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine

C14H23N3O — CID 79367793

IUPACN-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCn1cncc1C1OCCC1CNC1CC1
InChIInChI=1S/C14H23N3O/c1-2-6-17-10-15-9-13(17)14-11(5-7-18-14)8-16-12-3-4-12/h9-12,14,16H,2-8H2,1H3
InChIKeyKJCZJYSMJPCCAY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds6

About N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine

N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 79367793) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID79367793
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCn1cncc1C1OCCC1CNC1CC1
InChIInChI=1S/C14H23N3O/c1-2-6-17-10-15-9-13(17)14-11(5-7-18-14)8-16-12-3-4-12/h9-12,14,16H,2-8H2,1H3
InChIKeyKJCZJYSMJPCCAY-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine (CID 79367793) is N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine is CCCn1cncc1C1OCCC1CNC1CC1.
What is the InChIKey of N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is KJCZJYSMJPCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-6-17-10-15-9-13(17)14-11(5-7-18-14)8-16-12-3-4-12/h9-12,14,16H,2-8H2,1H3.
What are the key properties of N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79367793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).