N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine

C13H23N3O2 — CID 114097853

IUPACN-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCOCCOCCCn1cncc1CNC1CC1
InChIInChI=1S/C13H23N3O2/c1-17-7-8-18-6-2-5-16-11-14-9-13(16)10-15-12-3-4-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyKHQCBCRFLUGLTN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds10

About N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114097853) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114097853
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCOCCOCCCn1cncc1CNC1CC1
InChIInChI=1S/C13H23N3O2/c1-17-7-8-18-6-2-5-16-11-14-9-13(16)10-15-12-3-4-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyKHQCBCRFLUGLTN-UHFFFAOYSA-N
XLogP1.19
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine (CID 114097853) is N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine is COCCOCCCn1cncc1CNC1CC1.
What is the InChIKey of N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KHQCBCRFLUGLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-17-7-8-18-6-2-5-16-11-14-9-13(16)10-15-12-3-4-12/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 253.35 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114097853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).