N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine

C12H21N3O — CID 62448136

IUPACN-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(Cn2ccnc2)O1
InChIInChI=1S/C12H21N3O/c1-2-5-13-8-11-3-4-12(16-11)9-15-7-6-14-10-15/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeyGRXMGWASWONETN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds6

About N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62448136) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62448136
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(Cn2ccnc2)O1
InChIInChI=1S/C12H21N3O/c1-2-5-13-8-11-3-4-12(16-11)9-15-7-6-14-10-15/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeyGRXMGWASWONETN-UHFFFAOYSA-N
XLogP1.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62448136) is N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(Cn2ccnc2)O1.
What is the InChIKey of N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is GRXMGWASWONETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-5-13-8-11-3-4-12(16-11)9-15-7-6-14-10-15/h6-7,10-13H,2-5,8-9H2,1H3.
What are the key properties of N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62448136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).