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

C14H25N3O — CID 62441582

IUPACN-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(Cn2ccnc2CC)O1
InChIInChI=1S/C14H25N3O/c1-3-7-15-10-12-5-6-13(18-12)11-17-9-8-16-14(17)4-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyNYCMVCNNIRTEBS-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds7

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

N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62441582) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62441582
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(Cn2ccnc2CC)O1
InChIInChI=1S/C14H25N3O/c1-3-7-15-10-12-5-6-13(18-12)11-17-9-8-16-14(17)4-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyNYCMVCNNIRTEBS-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-ethyl-1-(oxiran-2-ylmethyl)imidazole
CID 61404960
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 116522963
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62448136
N-[[5-[(2-ethylimidazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073284
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62426894

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62441582) is N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(Cn2ccnc2CC)O1.
What is the InChIKey of N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is NYCMVCNNIRTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-7-15-10-12-5-6-13(18-12)11-17-9-8-16-14(17)4-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62441582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).