N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine

C10H19N3O — CID 106718702

IUPACN-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCCOC)cn1
InChIInChI=1S/C10H19N3O/c1-3-11-7-10-8-13(9-12-10)5-4-6-14-2/h8-9,11H,3-7H2,1-2H3
InChIKeyMCEACBSRGIEOCU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.03
Rot. Bonds7

About N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106718702) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106718702
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCCOC)cn1
InChIInChI=1S/C10H19N3O/c1-3-11-7-10-8-13(9-12-10)5-4-6-14-2/h8-9,11H,3-7H2,1-2H3
InChIKeyMCEACBSRGIEOCU-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.03
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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Related Compounds

(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
CID 71716729
1-Methyl-5-aminomethylimidazole
CID 2795424
(1-methyl-1H-imidazol-4-yl)methanamine
CID 2795114
methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 7164555
1,2-Dimethyl-1H-imidazole-5-methanamine
CID 13062778
5,6,7,8-Tetrahydroimidazo(1,5-a)pyrazine
CID 20825705
N,1-Dimethyl-1H-imidazole-4-methanamine
CID 21366440
(1-ethyl-1H-imidazol-5-yl)methanamine
CID 28063992
1-(1-ethyl-1H-imidazol-5-yl)methanamine dihydrochloride
CID 53398801
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66118213

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine (CID 106718702) is N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(CCCOC)cn1.
What is the InChIKey of N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is MCEACBSRGIEOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-7-10-8-13(9-12-10)5-4-6-14-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).