2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine

C13H23N3O — CID 66164359

IUPAC2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cncn1C(C)C
InChIInChI=1S/C13H23N3O/c1-10(2)16-9-14-7-11(16)8-15-12-5-4-6-13(12)17-3/h7,9-10,12-13,15H,4-6,8H2,1-3H3
InChIKeyLXWMZDWBCVZEBA-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds5

About 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine

2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 66164359) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID66164359
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NCc1cncn1C(C)C
InChIInChI=1S/C13H23N3O/c1-10(2)16-9-14-7-11(16)8-15-12-5-4-6-13(12)17-3/h7,9-10,12-13,15H,4-6,8H2,1-3H3
InChIKeyLXWMZDWBCVZEBA-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine (CID 66164359) is 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine is COC1CCCC1NCc1cncn1C(C)C.
What is the InChIKey of 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is LXWMZDWBCVZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-9-14-7-11(16)8-15-12-5-4-6-13(12)17-3/h7,9-10,12-13,15H,4-6,8H2,1-3H3.
What are the key properties of 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine?
2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 66164359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).