N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine

C16H27N3O2 — CID 128981950

IUPACN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
SMILESCCn1ccnc1C(NC1CCCOC1)C1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-2-19-8-7-17-16(19)15(13-5-10-20-11-6-13)18-14-4-3-9-21-12-14/h7-8,13-15,18H,2-6,9-12H2,1H3
InChIKeyWAWPSNFOGLMJLQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.14
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine (PubChem CID 128981950) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
PubChem CID128981950
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
SMILESCCn1ccnc1C(NC1CCCOC1)C1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-2-19-8-7-17-16(19)15(13-5-10-20-11-6-13)18-14-4-3-9-21-12-14/h7-8,13-15,18H,2-6,9-12H2,1H3
InChIKeyWAWPSNFOGLMJLQ-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(oxan-3-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 65332085
N-[1-(1-methylimidazol-2-yl)propyl]oxan-3-amine
CID 115900976
4-benzoyl-N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]piperazine-1-carboxamide
CID 164638768
N-[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methylpyridine-3-carboxamide
CID 129351792
4-[[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 128969600
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
oxan-3-yl-(1-propylimidazol-2-yl)methanamine
CID 65332241
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
CID 128976689
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanol
CID 103986534

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine (CID 128981950) is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine is CCn1ccnc1C(NC1CCCOC1)C1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine?
The InChIKey is WAWPSNFOGLMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-19-8-7-17-16(19)15(13-5-10-20-11-6-13)18-14-4-3-9-21-12-14/h7-8,13-15,18H,2-6,9-12H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine?
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine has a molecular weight of 293.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 128981950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).