1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine

C13H23N3O — CID 106569910

IUPAC1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCOC1CCCC1n1cc(C)nc1NC(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)14-13-15-10(3)8-16(13)11-6-5-7-12(11)17-4/h8-9,11-12H,5-7H2,1-4H3,(H,14,15)
InChIKeyQHJNQKFFPUVIKP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106569910) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106569910
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCOC1CCCC1n1cc(C)nc1NC(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)14-13-15-10(3)8-16(13)11-6-5-7-12(11)17-4/h8-9,11-12H,5-7H2,1-4H3,(H,14,15)
InChIKeyQHJNQKFFPUVIKP-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106569910) is 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine is COC1CCCC1n1cc(C)nc1NC(C)C.
What is the InChIKey of 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is QHJNQKFFPUVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)14-13-15-10(3)8-16(13)11-6-5-7-12(11)17-4/h8-9,11-12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106569910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).