cyclopenten-1-ylmethanamine

C6H11N — CID 12623599

IUPACcyclopenten-1-ylmethanamine
SMILESNCC1=CCCC1
InChIInChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h3H,1-2,4-5,7H2
InChIKeyKETWSVNAKWAOJM-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.06
Rot. Bonds1

About cyclopenten-1-ylmethanamine

cyclopenten-1-ylmethanamine (PubChem CID 12623599) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is cyclopenten-1-ylmethanamine.

Molecular Properties

Compound Namecyclopenten-1-ylmethanamine
PubChem CID12623599
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namecyclopenten-1-ylmethanamine
SMILESNCC1=CCCC1
InChIInChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h3H,1-2,4-5,7H2
InChIKeyKETWSVNAKWAOJM-UHFFFAOYSA-N
XLogP1.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 118360
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CID 53398883
CID 53398883
CID 71757092
CID 71757092
CID 14591841
CID 14591841
CID 91306921
CID 91306921
CID 118540789
CID 118540789
CID 13247220
CID 13247220
CID 89126657
CID 89126657
CID 89952053
CID 89952053
CID 163971429
CID 163971429
CID 166651478
CID 166651478
CID 129888699
CID 129888699

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylmethanamine?
The IUPAC name of cyclopenten-1-ylmethanamine (CID 12623599) is cyclopenten-1-ylmethanamine.
What is the SMILES notation for cyclopenten-1-ylmethanamine?
The canonical SMILES for cyclopenten-1-ylmethanamine is NCC1=CCCC1.
What is the InChIKey of cyclopenten-1-ylmethanamine?
The InChIKey is KETWSVNAKWAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h3H,1-2,4-5,7H2.
What are the key properties of cyclopenten-1-ylmethanamine?
cyclopenten-1-ylmethanamine has a molecular weight of 97.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethanamine is sourced from PubChem (CID 12623599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).