N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine

C12H21N3O — CID 106563883

IUPACN-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CC1CCCCO1
InChIInChI=1S/C12H21N3O/c1-3-13-12-14-10(2)8-15(12)9-11-6-4-5-7-16-11/h8,11H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyPVZJCSLQOLYQRR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.19
Rot. Bonds4

About N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine

N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine (PubChem CID 106563883) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
PubChem CID106563883
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
SMILESCCNc1nc(C)cn1CC1CCCCO1
InChIInChI=1S/C12H21N3O/c1-3-13-12-14-10(2)8-15(12)9-11-6-4-5-7-16-11/h8,11H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyPVZJCSLQOLYQRR-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563918
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091
4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
CID 106560077
1-ethyl-4-methyl-N-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567508
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
2-[4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81336757
1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine
CID 106574098
1-(2,2-dimethylpropyl)-N-ethyl-4-methylimidazol-2-amine
CID 106563656
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-propylimidazol-2-amine
CID 106567050
4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine
CID 106562062
1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine (CID 106563883) is N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine is CCNc1nc(C)cn1CC1CCCCO1.
What is the InChIKey of N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine?
The InChIKey is PVZJCSLQOLYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-12-14-10(2)8-15(12)9-11-6-4-5-7-16-11/h8,11H,3-7,9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine?
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106563883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).