1-(cyclopent-3-en-1-ylmethyl)diazinane

C10H18N2 — CID 164652652

IUPAC1-(cyclopent-3-en-1-ylmethyl)diazinane
SMILESC1=CCC(CN2CCCCN2)C1
InChIInChI=1S/C10H18N2/c1-2-6-10(5-1)9-12-8-4-3-7-11-12/h1-2,10-11H,3-9H2
InChIKeyKBJAYSGZLNGIQF-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.55
Rot. Bonds2

About 1-(cyclopent-3-en-1-ylmethyl)diazinane

1-(cyclopent-3-en-1-ylmethyl)diazinane (PubChem CID 164652652) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylmethyl)diazinane.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylmethyl)diazinane
PubChem CID164652652
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(cyclopent-3-en-1-ylmethyl)diazinane
SMILESC1=CCC(CN2CCCCN2)C1
InChIInChI=1S/C10H18N2/c1-2-6-10(5-1)9-12-8-4-3-7-11-12/h1-2,10-11H,3-9H2
InChIKeyKBJAYSGZLNGIQF-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Diazabicyclo[3.3.1]non-6-ene
CID 159933399
N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine
CID 83006768
[1-(Cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine
CID 126971345
n-[(Cyclopent-3-en-1-yl)methyl]-4-methylpiperazin-1-amine
CID 164651480

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)diazinane?
The IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)diazinane (CID 164652652) is 1-(cyclopent-3-en-1-ylmethyl)diazinane.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylmethyl)diazinane?
The canonical SMILES for 1-(cyclopent-3-en-1-ylmethyl)diazinane is C1=CCC(CN2CCCCN2)C1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylmethyl)diazinane?
The InChIKey is KBJAYSGZLNGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-10(5-1)9-12-8-4-3-7-11-12/h1-2,10-11H,3-9H2.
What are the key properties of 1-(cyclopent-3-en-1-ylmethyl)diazinane?
1-(cyclopent-3-en-1-ylmethyl)diazinane has a molecular weight of 166.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylmethyl)diazinane is sourced from PubChem (CID 164652652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).