N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine

C13H23N3O2 — CID 106567498

IUPACN-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
SMILESCOCCCNc1nccn1CCC1CCCO1
InChIInChI=1S/C13H23N3O2/c1-17-10-3-6-14-13-15-7-9-16(13)8-5-12-4-2-11-18-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,14,15)
InChIKeyNYLNNSFRFIWABW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.90
Rot. Bonds8

About N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine

N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine (PubChem CID 106567498) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
PubChem CID106567498
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
SMILESCOCCCNc1nccn1CCC1CCCO1
InChIInChI=1S/C13H23N3O2/c1-17-10-3-6-14-13-15-7-9-16(13)8-5-12-4-2-11-18-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,14,15)
InChIKeyNYLNNSFRFIWABW-UHFFFAOYSA-N
XLogP1.90
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.90
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-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine (CID 106567498) is N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine is COCCCNc1nccn1CCC1CCCO1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine?
The InChIKey is NYLNNSFRFIWABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-17-10-3-6-14-13-15-7-9-16(13)8-5-12-4-2-11-18-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine?
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106567498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).