1-heptylcyclopropene;piperidin-1-amine

C15H30N2 — CID 67374685

IUPAC1-heptylcyclopropene;piperidin-1-amine
SMILESCCCCCCCC1=CC1.NN1CCCCC1
InChIInChI=1S/C10H18.C5H12N2/c1-2-3-4-5-6-7-10-8-9-10;6-7-4-2-1-3-5-7/h8H,2-7,9H2,1H3;1-6H2
InChIKeyYJLOUCWQFPHMQB-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.02
Rot. Bonds6

About 1-heptylcyclopropene;piperidin-1-amine

1-heptylcyclopropene;piperidin-1-amine (PubChem CID 67374685) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-heptylcyclopropene;piperidin-1-amine.

Molecular Properties

Compound Name1-heptylcyclopropene;piperidin-1-amine
PubChem CID67374685
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-heptylcyclopropene;piperidin-1-amine
SMILESCCCCCCCC1=CC1.NN1CCCCC1
InChIInChI=1S/C10H18.C5H12N2/c1-2-3-4-5-6-7-10-8-9-10;6-7-4-2-1-3-5-7/h8H,2-7,9H2,1H3;1-6H2
InChIKeyYJLOUCWQFPHMQB-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptylcyclopropene;piperidin-1-amine?
The IUPAC name of 1-heptylcyclopropene;piperidin-1-amine (CID 67374685) is 1-heptylcyclopropene;piperidin-1-amine.
What is the SMILES notation for 1-heptylcyclopropene;piperidin-1-amine?
The canonical SMILES for 1-heptylcyclopropene;piperidin-1-amine is CCCCCCCC1=CC1.NN1CCCCC1.
What is the InChIKey of 1-heptylcyclopropene;piperidin-1-amine?
The InChIKey is YJLOUCWQFPHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C5H12N2/c1-2-3-4-5-6-7-10-8-9-10;6-7-4-2-1-3-5-7/h8H,2-7,9H2,1H3;1-6H2.
What are the key properties of 1-heptylcyclopropene;piperidin-1-amine?
1-heptylcyclopropene;piperidin-1-amine has a molecular weight of 238.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylcyclopropene;piperidin-1-amine is sourced from PubChem (CID 67374685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).