2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine

C14H24N2 — CID 139640162

IUPAC2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCC(CC=C)C1C(N)C2CCN1CC2
InChIInChI=1S/C14H24N2/c1-3-5-12(6-4-2)14-13(15)11-7-9-16(14)10-8-11/h3-4,11-14H,1-2,5-10,15H2
InChIKeyHWZGKJHBCOVRIL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.18
Rot. Bonds5

About 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine

2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 139640162) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID139640162
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCC(CC=C)C1C(N)C2CCN1CC2
InChIInChI=1S/C14H24N2/c1-3-5-12(6-4-2)14-13(15)11-7-9-16(14)10-8-11/h3-4,11-14H,1-2,5-10,15H2
InChIKeyHWZGKJHBCOVRIL-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine (CID 139640162) is 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine is C=CCC(CC=C)C1C(N)C2CCN1CC2.
What is the InChIKey of 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is HWZGKJHBCOVRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-12(6-4-2)14-13(15)11-7-9-16(14)10-8-11/h3-4,11-14H,1-2,5-10,15H2.
What are the key properties of 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine?
2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-1,6-dien-4-yl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 139640162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).