1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine

C19H25N5O — CID 128976689

IUPAC1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESCCn1ccnc1C(NCc1ccc2cn[nH]c2c1)C1CCOCC1
InChIInChI=1S/C19H25N5O/c1-2-24-8-7-20-19(24)18(15-5-9-25-10-6-15)21-12-14-3-4-16-13-22-23-17(16)11-14/h3-4,7-8,11,13,15,18,21H,2,5-6,9-10,12H2,1H3,(H,22,23)
InChIKeyTVKQVHDINOIYFG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine

1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine (PubChem CID 128976689) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
PubChem CID128976689
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESCCn1ccnc1C(NCc1ccc2cn[nH]c2c1)C1CCOCC1
InChIInChI=1S/C19H25N5O/c1-2-24-8-7-20-19(24)18(15-5-9-25-10-6-15)21-12-14-3-4-16-13-22-23-17(16)11-14/h3-4,7-8,11,13,15,18,21H,2,5-6,9-10,12H2,1H3,(H,22,23)
InChIKeyTVKQVHDINOIYFG-UHFFFAOYSA-N
XLogP3.04
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 128976454
4-[[[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-2-methoxybenzonitrile
CID 129483498
4-[[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 128969600
(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
CID 129482196
(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483407
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
(1R)-1-(1-methylimidazol-2-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 100706227
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
CID 128988050

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine (CID 128976689) is 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine is CCn1ccnc1C(NCc1ccc2cn[nH]c2c1)C1CCOCC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine?
The InChIKey is TVKQVHDINOIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-24-8-7-20-19(24)18(15-5-9-25-10-6-15)21-12-14-3-4-16-13-22-23-17(16)11-14/h3-4,7-8,11,13,15,18,21H,2,5-6,9-10,12H2,1H3,(H,22,23).
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine?
1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine has a molecular weight of 339.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 128976689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).