N-(2-imidazol-1-ylethyl)oxetan-3-amine

C8H13N3O — CID 63623289

IUPACN-(2-imidazol-1-ylethyl)oxetan-3-amine
SMILESc1cn(CCNC2COC2)cn1
InChIInChI=1S/C8H13N3O/c1-3-11(7-9-1)4-2-10-8-5-12-6-8/h1,3,7-8,10H,2,4-6H2
InChIKeySWRXAZCXOABWLP-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)oxetan-3-amine

N-(2-imidazol-1-ylethyl)oxetan-3-amine (PubChem CID 63623289) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)oxetan-3-amine
PubChem CID63623289
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(2-imidazol-1-ylethyl)oxetan-3-amine
SMILESc1cn(CCNC2COC2)cn1
InChIInChI=1S/C8H13N3O/c1-3-11(7-9-1)4-2-10-8-5-12-6-8/h1,3,7-8,10H,2,4-6H2
InChIKeySWRXAZCXOABWLP-UHFFFAOYSA-N
XLogP-0.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895433
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625
N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254828
N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
CID 107906738
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
CID 61326141
2-imidazol-1-ylethanol
CID 159023310

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)oxetan-3-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)oxetan-3-amine (CID 63623289) is N-(2-imidazol-1-ylethyl)oxetan-3-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)oxetan-3-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)oxetan-3-amine is c1cn(CCNC2COC2)cn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)oxetan-3-amine?
The InChIKey is SWRXAZCXOABWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11(7-9-1)4-2-10-8-5-12-6-8/h1,3,7-8,10H,2,4-6H2.
What are the key properties of N-(2-imidazol-1-ylethyl)oxetan-3-amine?
N-(2-imidazol-1-ylethyl)oxetan-3-amine has a molecular weight of 167.21 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)oxetan-3-amine is sourced from PubChem (CID 63623289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).