N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine

C9H15N3O — CID 130899262

IUPACN-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
SMILESCN(CC1CCOC1)c1ncc[nH]1
InChIInChI=1S/C9H15N3O/c1-12(9-10-3-4-11-9)6-8-2-5-13-7-8/h3-4,8H,2,5-7H2,1H3,(H,10,11)
InChIKeyOPFGPXKLWFORRF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.88
Rot. Bonds3

About N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine

N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine (PubChem CID 130899262) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
PubChem CID130899262
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
SMILESCN(CC1CCOC1)c1ncc[nH]1
InChIInChI=1S/C9H15N3O/c1-12(9-10-3-4-11-9)6-8-2-5-13-7-8/h3-4,8H,2,5-7H2,1H3,(H,10,11)
InChIKeyOPFGPXKLWFORRF-UHFFFAOYSA-N
XLogP0.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-1H-imidazol-2-amine
CID 130906329
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133455194
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455197
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine
CID 113367845
5-iodo-4-[methyl(oxan-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137015661

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine (CID 130899262) is N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine is CN(CC1CCOC1)c1ncc[nH]1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine?
The InChIKey is OPFGPXKLWFORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(9-10-3-4-11-9)6-8-2-5-13-7-8/h3-4,8H,2,5-7H2,1H3,(H,10,11).
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine?
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine is sourced from PubChem (CID 130899262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).