5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine

C12H22N4 — CID 117192903

IUPAC5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1c(CNC2CCCC2)cnc1N
InChIInChI=1S/C12H22N4/c1-9(2)16-11(8-15-12(16)13)7-14-10-5-3-4-6-10/h8-10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyKVXPULAPHXYYMX-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.08
Rot. Bonds4

About 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine

5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine (PubChem CID 117192903) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
PubChem CID117192903
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1c(CNC2CCCC2)cnc1N
InChIInChI=1S/C12H22N4/c1-9(2)16-11(8-15-12(16)13)7-14-10-5-3-4-6-10/h8-10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyKVXPULAPHXYYMX-UHFFFAOYSA-N
XLogP2.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine (CID 117192903) is 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine is CC(C)n1c(CNC2CCCC2)cnc1N.
What is the InChIKey of 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine?
The InChIKey is KVXPULAPHXYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-11(8-15-12(16)13)7-14-10-5-3-4-6-10/h8-10,14H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine?
5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 117192903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).