3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol

C9H17N3O — CID 103207403

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2=NCCN2)C1
InChIInChI=1S/C9H17N3O/c13-8-2-1-7(5-8)6-12-9-10-3-4-11-9/h7-8,13H,1-6H2,(H2,10,11,12)
InChIKeyPASRICFOZRBOHU-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.30
Rot. Bonds2

About 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 103207403) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID103207403
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2=NCCN2)C1
InChIInChI=1S/C9H17N3O/c13-8-2-1-7(5-8)6-12-9-10-3-4-11-9/h7-8,13H,1-6H2,(H2,10,11,12)
InChIKeyPASRICFOZRBOHU-UHFFFAOYSA-N
XLogP-0.30
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol (CID 103207403) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol is OC1CCC(CNC2=NCCN2)C1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is PASRICFOZRBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-8-2-1-7(5-8)6-12-9-10-3-4-11-9/h7-8,13H,1-6H2,(H2,10,11,12).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 183.25 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103207403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).