1-(oxan-2-ylmethyl)imidazol-2-amine

C9H15N3O — CID 106563869

IUPAC1-(oxan-2-ylmethyl)imidazol-2-amine
SMILESNc1nccn1CC1CCCCO1
InChIInChI=1S/C9H15N3O/c10-9-11-4-5-12(9)7-8-3-1-2-6-13-8/h4-5,8H,1-3,6-7H2,(H2,10,11)
InChIKeySDUHQFRZXWIORT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.03
Rot. Bonds2

About 1-(oxan-2-ylmethyl)imidazol-2-amine

1-(oxan-2-ylmethyl)imidazol-2-amine (PubChem CID 106563869) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)imidazol-2-amine
PubChem CID106563869
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(oxan-2-ylmethyl)imidazol-2-amine
SMILESNc1nccn1CC1CCCCO1
InChIInChI=1S/C9H15N3O/c10-9-11-4-5-12(9)7-8-3-1-2-6-13-8/h4-5,8H,1-3,6-7H2,(H2,10,11)
InChIKeySDUHQFRZXWIORT-UHFFFAOYSA-N
XLogP1.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
1-(oxan-2-ylmethyl)benzimidazol-5-amine
CID 62506253
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
4-fluoro-1-(oxan-2-ylmethyl)benzimidazol-2-amine
CID 55013966
1-(1-ethylimidazol-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 115860150
2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 82562308
1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109686
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(oxan-2-ylmethyl)imidazol-2-amine (CID 106563869) is 1-(oxan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(oxan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(oxan-2-ylmethyl)imidazol-2-amine is Nc1nccn1CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-ylmethyl)imidazol-2-amine?
The InChIKey is SDUHQFRZXWIORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9-11-4-5-12(9)7-8-3-1-2-6-13-8/h4-5,8H,1-3,6-7H2,(H2,10,11).
What are the key properties of 1-(oxan-2-ylmethyl)imidazol-2-amine?
1-(oxan-2-ylmethyl)imidazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106563869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).