1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide

C13H22N4O2 — CID 173084960

IUPAC1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide
SMILESCC(CNCC1CCOCC1)n1ccnc1C(N)=O
InChIInChI=1S/C13H22N4O2/c1-10(17-5-4-16-13(17)12(14)18)8-15-9-11-2-6-19-7-3-11/h4-5,10-11,15H,2-3,6-9H2,1H3,(H2,14,18)
InChIKeyYVQBHMOOSJXWPD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.56
Rot. Bonds6

About 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide

1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide (PubChem CID 173084960) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide
PubChem CID173084960
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide
SMILESCC(CNCC1CCOCC1)n1ccnc1C(N)=O
InChIInChI=1S/C13H22N4O2/c1-10(17-5-4-16-13(17)12(14)18)8-15-9-11-2-6-19-7-3-11/h4-5,10-11,15H,2-3,6-9H2,1H3,(H2,14,18)
InChIKeyYVQBHMOOSJXWPD-UHFFFAOYSA-N
XLogP0.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106572421
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116
N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255717
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
N-(3-methylbutan-2-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712550
(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97191226
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
1-(1,1,3-trifluoropropan-2-yl)imidazole-2-carboxamide
CID 118357000
(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
CID 95851745

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide?
The IUPAC name of 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide (CID 173084960) is 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide is CC(CNCC1CCOCC1)n1ccnc1C(N)=O.
What is the InChIKey of 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide?
The InChIKey is YVQBHMOOSJXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(17-5-4-16-13(17)12(14)18)8-15-9-11-2-6-19-7-3-11/h4-5,10-11,15H,2-3,6-9H2,1H3,(H2,14,18).
What are the key properties of 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide?
1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide is sourced from PubChem (CID 173084960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).